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  1. Unveiling Promising PARP12 Inhibitors through Virtual Screening for Cancer Therapy

    Article • Current Pharmaceutical Design, December 2025, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  2. In silico investigations of natural-product tethered 1,4-naphthoquinones as inhibitors of Staphylococcus aureus

    Article • Biochemical and Biophysical Research Communications, September 2025, Elsevier

    Dr. Dharmendra Kumar Yadav

  3. Unveiling the therapeutic role of penfluridol and BMS-754,807: NUDT5 inhibition in breast cancer

    Article • Chemical Physics Impact, June 2025, Elsevier

    Dr. Dharmendra Kumar Yadav

  4. Design, Synthesis, and Simulation of Functionalized 1,2,3,4‐Tetrahydroisoquinolines to Treat Acute Leukemia Cells

    Article • ChemistrySelect, February 2025, Wiley

    Dr. Dharmendra Kumar Yadav

  5. Distinctive roles of aquaporins and novel therapeutic opportunities against cancer

    Article • RSC Medicinal Chemistry, January 2025, Royal Society of Chemistry

    Dr. Dharmendra Kumar Yadav

  6. The stereo-divergent functionalization of alkynes: a comprehensive review

    Article • RSC Advances, January 2025, Royal Society of Chemistry

    Dr. Dharmendra Kumar Yadav

  7. Design, Synthesis and Computational Insight of Isolated and Thiophene fused 2H‐Pyran‐2‐ones as PPAR‐γ Agonist

    Article • ChemistrySelect, October 2024, Wiley

    Dr. Dharmendra Kumar Yadav

  8. Gut microbiota-centered risk factors and altered immunometabolism in the pathogenesis and prophylaxis of Clostridium difficile infection

    Article • Journal of King Saud University - Science, October 2024, Scientific Scholar

    Dr. Dharmendra Kumar Yadav

  9. Chemo-/regio-selective ultrasound-assisted synthesis of new spirooxindole-pyrrolidines/spirooxindole-pyrrolizines: Synthesis, antimicrobial and antitubercular activities, SAR and in silico studies

    Article • Journal of Molecular Structure, September 2024, Elsevier

    Na'il Saleh, Dr. Dharmendra Kumar Yadav

  10. Structure-based drug-development study against fibroblast growth factor receptor 2: molecular docking and Molecular dynamics simulation approaches

    Article • Scientific Reports, August 2024, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  11. Cucumis melo compounds: A new avenue for ALR-2 inhibition in diabetes mellitus

    Article • Heliyon, August 2024, Elsevier

    Dr. Dharmendra Kumar Yadav

  12. Computational Screening of Repurposed Drugs for HMG-CoA Synthase 2 in Alzheimer’s Disease

    Article • Journal of Alzheimer’s Disease, July 2024, IOS Press

    Dr. Dharmendra Kumar Yadav

  13. Structure-based screening of FDA-approved drugs identifies potential histone deacetylase 3 repurposed inhibitor: molecular docking and molecular dynamic simulation approaches

    Article • Frontiers in Pharmacology, June 2024, Frontiers

    Dr. Dharmendra Kumar Yadav

  14. Orientia tsutsugamushi: An Unusual Intracellular Bacteria—Adaptation Strategies, Available Antibiotics, and Alternatives for Treatment

    Article • Current Microbiology, June 2024, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  15. Identification and evaluation of putative type 2 diabetes mellitus inhibitors derived from Cichorium intybus

    Article • Journal of Molecular Structure, June 2024, Elsevier

    Dr. Dharmendra Kumar Yadav

  16. Identifying potential inhibitors of phosphatidylinositol 4,5-bisphosphate 3-kinase: Molecular dynamic insights into the interaction and inhibitory mechanism

    Article • Chemical Physics Impact, June 2024, Elsevier

    Dr. Dharmendra Kumar Yadav

  17. Understanding the interactions between repurposed drugs sertindole and temoporfin with receptor for advanced glycation endproducts: Therapeutic implications in cancer and metabolic diseases

    Article • Journal of Molecular Modeling, May 2024, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  18. Exploring the promising potential of noscapine for cancer and neurodegenerative disease therapy through inhibition of integrin-linked kinase-1

    Article • International Journal of Biological Macromolecules, March 2024, Elsevier

    Dr. Dharmendra Kumar Yadav

  19. Identifying repurposed drugs as potential inhibitors of Apolipoprotein E: A bioinformatics approach to target complex diseases associated with lipid metabolism and neurodegeneration

    Article • International Journal of Biological Macromolecules, February 2024, Elsevier

    Dr. Dharmendra Kumar Yadav

  20. In vitro and Ex vivo study targeting the development of a Lavandula stoechas L. (Ustukhuddūs) loaded Unani Transdermal patch: Implication of Unani Medicine in the treatment of Nisyan (Dementia)

    Article • Heliyon, February 2024, Elsevier

    Dr. Dharmendra Kumar Yadav

  21. Targeting PDE4A for therapeutic potential: exploiting drug repurposing approach through virtual screening and molecular dynamics

    Article • Journal of Biomolecular Structure and Dynamics, January 2024, Taylor & Francis

    Dr. Dharmendra Kumar Yadav

  22. Identification of High-Affinity Inhibitors of TANK-Binding Kinase 1 (TBK1): A Promising Frontier for Controlling Inflammatory Signaling in Cancer

    Article • Discovery Medicine, January 2024, Discovery Medicine

    Dr. Dharmendra Kumar Yadav

  23. Systematic computational strategies for identifying protein targets and lead discovery

    Article • RSC Medicinal Chemistry, January 2024, Royal Society of Chemistry

    Dr. Dharmendra Kumar Yadav

  24. Identifying Phosphodiesterase‐5 Inhibitors with Drug Repurposing Approach: Implications in Vasodysfunctional Disorders

    Article • ChemistryOpen, December 2023, Wiley

    Dr. Dharmendra Kumar Yadav

  25. An integrated docking and molecular dynamics simulation approach to discover potential inhibitors of activin receptor‐like kinase 1

    Article • Journal of Molecular Recognition, December 2023, Wiley

    Dr. Dharmendra Kumar Yadav

  26. Comprehensive insight into the molecular interaction of rutin with human transferrin: Implication of natural compounds in neurodegenerative diseases

    Article • International Journal of Biological Macromolecules, December 2023, Elsevier

    Professor Rizwan Hasan Khan, Dr. Dharmendra Kumar Yadav

  27. Experimental and Computational Insights into the Molecular Interactions between Human Transferrin and Apigenin: Implications of Natural Compounds in Targeting Neuroinflammation

    Article • ACS Omega, November 2023, American Chemical Society (ACS)

    Dr. Dharmendra Kumar Yadav

  28. Identification of mitogen‐activated protein kinase 7 inhibitors from natural products: Combined virtual screening and dynamic simulation studies

    Article • Journal of Molecular Recognition, November 2023, Wiley

    Dr. Dharmendra Kumar Yadav

  29. Experimental and computational investigation of the binding mechanism of thymol with human transferrin: Importance of dietary phytochemicals in Alzheimer’s disease therapeutics

    Article • Journal of Molecular Liquids, November 2023, Elsevier

    Dr. Dharmendra Kumar Yadav

  30. Artemisinin-inspired novel functionalized aryloxy-arylvinyl-1,2,4-trioxanes as potent anticancer agents: Design, synthesis, bioevaluation, SAR and in silico studies

    Article • Journal of Molecular Structure, September 2023, Elsevier

    Dr. Dharmendra Kumar Yadav, Prof. Sandeep Chaudhary

  31. Structure-based identification of potential inhibitors of ribosomal protein S6 kinase 1, targeting cancer therapy: a combined docking and molecular dynamics simulations approach

    Article • Journal of Biomolecular Structure and Dynamics, June 2023, Taylor & Francis

    Dr. Dharmendra Kumar Yadav, Dr. Taj Mohammad

  32. Clinical Significance of MicroRNAs, Long Non-Coding RNAs, and CircRNAs in Cardiovascular Diseases

    Article • Cells, June 2023, MDPI AG

    Dr. Dharmendra Kumar Yadav

  33. Recent Clinical Advances on Long Non-Coding RNAs in Triple-Negative Breast Cancer

    Article • Cells, February 2023, MDPI AG

    Dr. Dharmendra Kumar Yadav

  34. Assessing the Protein-Ligand Interaction and Thermally Induced Quality Changes in Tomato-Based Pineapple Beverage

    Article • Beverages, February 2023, MDPI AG

    Dr. Dharmendra Kumar Yadav

  35. RAGE Inhibitors for Targeted Therapy of Cancer: A Comprehensive Review

    Article • International Journal of Molecular Sciences, December 2022, MDPI AG

    Dr. Dharmendra Kumar Yadav

  36. Clinical updates on tyrosine kinase inhibitors in HER2-positive breast cancer

    Article • Frontiers in Pharmacology, December 2022, Frontiers

    Dr. Dharmendra Kumar Yadav

  37. Integrated virtual screening and MD simulation study to discover potential inhibitors of Lyn-kinase: targeting cancer therapy

    Article • Journal of Biomolecular Structure and Dynamics, December 2022, Taylor & Francis

    Dr. Dharmendra Kumar Yadav, Dr. Taj Mohammad

  38. Development of Dementia in Type 2 Diabetes Patients: Mechanisms of Insulin Resistance and Antidiabetic Drug Development

    Article • Cells, November 2022, MDPI AG

    Dr. Dharmendra Kumar Yadav

  39. Review of Developments in Combating COVID-19 by Vaccines, Inhibitors, Radiations, and Nonthermal Plasma

    Article • Current Issues in Molecular Biology, November 2022, MDPI AG

    Dr. Dharmendra Kumar Yadav

  40. Frankincense oil-loaded nanoemulsion formulation of paclitaxel and erucin: A synergistic combination for ameliorating drug resistance in breast cancer: In vitro and in vivo study

    Article • Frontiers in Pharmacology, October 2022, Frontiers

    Dr. Dharmendra Kumar Yadav

  41. Biomedical and Antioxidant Potentialities in Chilli: Perspectives and Way Forward

    Article • Molecules, September 2022, MDPI AG

    Prof Amit B Sharangi, Dr. Dharmendra Kumar Yadav

  42. In vitro elucidation of antioxidant, antiproliferative, and apoptotic potential of yeast-derived β-1,3-glucan particles against cervical cancer cells

    Article • Frontiers in Oncology, August 2022, Frontiers

    Dr. Dharmendra Kumar Yadav

  43. Identification of PARP12 Inhibitors By Virtual Screening and Molecular Dynamics Simulations

    Article • Frontiers in Pharmacology, August 2022, Frontiers

    Dr. Dharmendra Kumar Yadav

  44. Therapeutic implications and clinical manifestations of thymoquinone

    Article • Phytochemistry, August 2022, Elsevier

    Dr. Dharmendra Kumar Yadav

  45. Computational analysis of PTP-1B site-directed mutations and their structural binding to potential inhibitors

    Article • Cellular and Molecular Biology, July 2022, CMB Association

    Dr. Dharmendra Kumar Yadav

  46. In Vitro Evaluation of Antioxidant, Anticancer, and Anti-Inflammatory Activities of Ethanolic Leaf Extract of Adenium obesum

    Article • Frontiers in Pharmacology, July 2022, Frontiers

    Rohit Kumar Tiwari, Dr. Dharmendra Kumar Yadav

  47. Discovering Tuberosin and Villosol as Potent and Selective Inhibitors of AKT1 for Therapeutic Targeting of Oral Squamous Cell Carcinoma

    Article • Journal of Personalized Medicine, June 2022, MDPI AG

    Dr. Dharmendra Kumar Yadav, Dr. Taj Mohammad

  48. Corrigendum: SARS-CoV-2: Emergence of New Variants and Effectiveness of Vaccines

    Article • Frontiers in Cellular and Infection Microbiology, June 2022, Frontiers

    Dr. Dharmendra Kumar Yadav

  49. Investigation of antidiabetic properties of shikonin by targeting aldose reductase enzyme: In silico and in vitro studies

    Article • Biomedicine & Pharmacotherapy, June 2022, Elsevier

    Dr. Dharmendra Kumar Yadav

  50. Epigallocatechin 3-gallate: From green tea to cancer therapeutics

    Article • Food Chemistry, June 2022, Elsevier

    Dr. Dharmendra Kumar Yadav

  51. Bioactive Phytoconstituents as Potent Inhibitors of Tyrosine-Protein Kinase Yes (YES1): Implications in Anticancer Therapeutics

    Article • Molecules, May 2022, MDPI AG

    Dr. Dharmendra Kumar Yadav

  52. Comparative analysis of web-based programs for single amino acid substitutions in proteins

    Article • PLOS One, May 2022, PLOS

    Dr. Dharmendra Kumar Yadav

  53. Cadmium-Tolerant Plant Growth-Promoting Bacteria Curtobacterium oceanosedimentum Improves Growth Attributes and Strengthens Antioxidant System in Chili (Capsicum frutescens)

    Article • Sustainability, April 2022, MDPI AG

    Dr. Dharmendra Kumar Yadav

  54. Recent Advances in Small Molecule Medicinal Chemistry to Treat Human Diseases: Part V

    Article • Current Topics in Medicinal Chemistry, April 2022, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  55. Biomedical features and therapeutic potential of rosmarinic acid

    Article • Archives of Pharmacal Research, April 2022, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav, Prof. Dr. Abdullah M. Asiri, Dr. Taj Mohammad

  56. Biological Evaluation in Resistant Cancer Cells and Study of Mechanism of Action of Arylvinyl-1,2,4-Trioxanes

    Article • Pharmaceuticals, March 2022, MDPI AG

    Dr. MOHIT K TIWARI, Dr. Dharmendra Kumar Yadav, Prof. Sandeep Chaudhary

  57. Insights into the Antibacterial Activity of Prolactin-Inducible Protein against the Standard and Environmental MDR Bacterial Strains

    Article • Microorganisms, March 2022, MDPI AG

    Dr. Dharmendra Kumar Yadav, Professor Asimul Islam

  58. Elucidating the Interactions of Fluoxetine with Human Transferrin Employing Spectroscopic, Calorimetric, and In Silico Approaches: Implications of a Potent Alzheimer’s Drug

    Article • ACS Omega, March 2022, American Chemical Society (ACS)

    Dr. Dharmendra Kumar Yadav, Prof. moyad jamal shahwan

  59. Discovery of Natural Product Inspired 3-Phenyl-1H-isochromen-1-ones as Highly Potent Antioxidant and Antiplatelet Agents: Design, Synthesis, Biological Evaluation, SAR and In Silico Studies

    Article • Current Pharmaceutical Design, March 2022, Bentham Science Publishers

    Prof. Sandeep Chaudhary, Dr. Dharmendra Kumar Yadav, Na'il Saleh

  60. Identification of intrinsically disorder regions in non-structural proteins of SARS-CoV-2: New insights into drug and vaccine resistance

    Article • Molecular and Cellular Biochemistry, February 2022, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav, Dr. Taj Mohammad

  61. SARS-CoV-2: Recent Variants and Clinical Efficacy of Antibody-Based Therapy

    Article • Frontiers in Cellular and Infection Microbiology, February 2022, Frontiers

    Dr. Dharmendra Kumar Yadav

  62. Effect of pH on the structure and function of cyclin-dependent kinase 6

    Article • PLOS One, February 2022, PLOS

    Dr. Dharmendra Kumar Yadav

  63. Differential gene expression and network analysis in head and neck squamous cell carcinoma

    Article • Molecular and Cellular Biochemistry, February 2022, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav, Dr. Taj Mohammad

  64. Mechanistic Insight into Binding of Huperzine A with Human Serum Albumin: Computational and Spectroscopic Approaches

    Article • Molecules, January 2022, MDPI AG

    Dr. Dharmendra Kumar Yadav, Prof. moyad jamal shahwan

  65. Antiviral Effects of Artemisinin and Its Derivatives against SARS-CoV-2 Main Protease: Computational Evidences and Interactions with ACE2 Allelic Variants

    Article • Pharmaceuticals, January 2022, MDPI AG

    Dr. Dharmendra Kumar Yadav

  66. Inhibition of MARK4 by serotonin as an attractive therapeutic approach to combat Alzheimer's disease and neuroinflammation

    Article • RSC Medicinal Chemistry, January 2022, Royal Society of Chemistry

    Dr. Dharmendra Kumar Yadav

  67. Bioactive phytoconstituents as potent inhibitors of casein kinase-2: dual implications in cancer and COVID-19 therapeutics

    Article • RSC Advances, January 2022, Royal Society of Chemistry

    Dr. Dharmendra Kumar Yadav, Dr. Taj Mohammad

  68. Drug Resistance Reversal Potential of Nanoparticles/Nanocomposites via Antibiotic’s Potentiation in Multi Drug Resistant P. aeruginosa

    Article • Nanomaterials, December 2021, MDPI AG

    Dr. Dharmendra Kumar Yadav

  69. Breast Cancer Transcriptional Regulatory Network Reprogramming by using the CRISPR/Cas9 System: An Oncogenetics Perspective

    Article • Current Topics in Medicinal Chemistry, December 2021, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  70. Potential Therapeutic Strategies of Phytochemicals in Neurodegenerative Disorders

    Article • Current Topics in Medicinal Chemistry, December 2021, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  71. Recent Advances on Small Molecule Medicinal Chemistry to Treat Human Diseases - Part IV

    Article • Current Topics in Medicinal Chemistry, December 2021, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  72. Investigating host-virus interaction mechanism and phylogenetic analysis of viral proteins involved in the pathogenesis

    Article • PLOS One, December 2021, PLOS

    Dr. Dharmendra Kumar Yadav

  73. Identification of Phytoconstituents as Potent Inhibitors of Casein Kinase-1 Alpha Using Virtual Screening and Molecular Dynamics Simulations

    Article • Pharmaceutics, December 2021, MDPI AG

    Dr. Dharmendra Kumar Yadav, Dr. Taj Mohammad

  74. SARS-CoV-2: Emergence of New Variants and Effectiveness of Vaccines

    Article • Frontiers in Cellular and Infection Microbiology, December 2021, Frontiers

    Dr. Dharmendra Kumar Yadav

  75. Mechanistic insights into the role of serum-glucocorticoid kinase 1 in diabetic nephropathy: A systematic review

    Article • International Journal of Biological Macromolecules, December 2021, Elsevier

    Dr. Dharmendra Kumar Yadav, Dr. Taj Mohammad

  76. Topical Insights Into the Post-Approval Controversies of Aducanumab

    Article • Frontiers in Pharmacology, November 2021, Frontiers

    Dr. Dharmendra Kumar Yadav

  77. Therapeutic Potential of Ursolic Acid in Cancer and Diabetic Neuropathy Diseases

    Article • International Journal of Molecular Sciences, November 2021, MDPI AG

    Dr. Dharmendra Kumar Yadav, Professor Asimul Islam

  78. Current Potential Therapeutic Approaches against SARS-CoV-2: A Review

    Article • Biomedicines, November 2021, MDPI AG

    Dr. Dharmendra Kumar Yadav

  79. Investigating single amino acid substitutions in PIM1 kinase: A structural genomics approach

    Article • PLOS One, October 2021, PLOS

    Dr. Dharmendra Kumar Yadav, Professor Asimul Islam, Dr. Taj Mohammad

  80. Role of PARP in TNBC: Mechanism of Inhibition, Clinical Applications, and Resistance

    Article • Biomedicines, October 2021, MDPI AG

    Dr. Dharmendra Kumar Yadav

  81. Genomic Variations in the Structural Proteins of SARS-CoV-2 and Their Deleterious Impact on Pathogenesis: A Comparative Genomics Approach

    Article • Frontiers in Cellular and Infection Microbiology, October 2021, Frontiers

    Dr. Dharmendra Kumar Yadav, Dr. Taj Mohammad

  82. MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer’s Disease

    Article • International Journal of Molecular Sciences, October 2021, MDPI AG

    Dr. Dharmendra Kumar Yadav, Professor Asimul Islam

  83. Drug resistance reversal potential of multifunctional thieno[3,2-c]pyran via potentiation of antibiotics in MDR P. aeruginosa

    Article • Biomedicine & Pharmacotherapy, October 2021, Elsevier

    Dr. Dharmendra Kumar Yadav

  84. Exploring the role of epidermal growth factor receptor variant III in meningeal tumors

    Article • PLOS One, September 2021, PLOS

    Dr. Dharmendra Kumar Yadav

  85. B Cell Lymphoma 2: A Potential Therapeutic Target for Cancer Therapy

    Article • International Journal of Molecular Sciences, September 2021, MDPI AG

    Dr. Dharmendra Kumar Yadav, Dr. Taj Mohammad

  86. TNBC: Potential Targeting of Multiple Receptors for a Therapeutic Breakthrough, Nanomedicine, and Immunotherapy

    Article • Biomedicines, July 2021, MDPI AG

    Dr. Dharmendra Kumar Yadav

  87. Novel halogenated Arylvinyl-1,2,4 trioxanes as potent antiplasmodial as well as anticancer agents: Synthesis, Bioevaluation, structure-activity relationship and in-silico studies

    Article • European Journal of Medicinal Chemistry, July 2021, Elsevier

    Dr. MOHIT K TIWARI, Dr. Dharmendra Kumar Yadav, Prof. Sandeep Chaudhary

  88. Recent Advances on Small Molecule Medicinal Chemistry to Treat Human Diseases-Part III

    Article • Current Topics in Medicinal Chemistry, July 2021, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  89. Potential Therapeutic Relevance of CRISPR/Cas9 Guided Epigenetic Regulations for Neuropsychiatric Disorders

    Article • Current Topics in Medicinal Chemistry, June 2021, Bentham Science Publishers

    DESH DEEPAK SINGH, piyush parimoo, Dr. Dharmendra Kumar Yadav

  90. The Bioactive Potential of Culturable Fungal Endophytes Isolated From the Leaf of Catharanthus roseus (L.) G. Don

    Article • Current Topics in Medicinal Chemistry, June 2021, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav, anant kumar

  91. Recent Advances on Small Molecule Medicinal Chemistry to Treat Human Diseases-Part II

    Article • Current Topics in Medicinal Chemistry, June 2021, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  92. In silico identification of prolyl hydroxylase inhibitor by per‐residue energy decomposition‐based pharmacophore approach

    Article • Journal of Cellular Biochemistry, April 2021, Wiley

    Dr. Dharmendra Kumar Yadav

  93. Recent Advances on Small Molecule Medicinal Chemistry to Treat Human Diseases

    Article • Current Topics in Medicinal Chemistry, March 2021, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  94. Role of Extracellular Vesicles in Glioma Progression: Deciphering Cellular Biological Processes to Clinical Applications

    Article • Current Topics in Medicinal Chemistry, March 2021, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  95. CRISPR/Cas9 based genome editing for targeted transcriptional control in triple-negative breast cancer

    Article • Computational and Structural Biotechnology Journal, January 2021, Elsevier

    Dr. Dharmendra Kumar Yadav

  96. Inactivation of Infectious Bacteria Using Nonthermal Biocompatible Plasma Cabinet Sterilizer

    Article • International Journal of Molecular Sciences, November 2020, MDPI AG

    Dr. Dharmendra Kumar Yadav

  97. Recent Advances in Pathophysiology, Drug Development and Future Perspectives of SARS-CoV-2

    Article • Frontiers in Cell and Developmental Biology, November 2020, Frontiers

    Dr. Dharmendra Kumar Yadav

  98. Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening Study

    Article • Frontiers in Chemistry, April 2020, Frontiers

    Dr. Dharmendra Kumar Yadav, Prof. Sandeep Chaudhary

  99. Atomic-scale modeling of the effect of lipid peroxidation on the permeability of reactive species

    Article • Journal of Biomolecular Structure and Dynamics, March 2020, Taylor & Francis

    Dr. Dharmendra Kumar Yadav

  100. Electric-field-induced electroporation and permeation of reactive oxygen species across a skin membrane

    Article • Journal of Biomolecular Structure and Dynamics, March 2020, Taylor & Francis

    Dr. Dharmendra Kumar Yadav

  101. Cold atmospheric plasma generated reactive species aided inhibitory effects on human melanoma cells: an in vitro and in silico study

    Article • Scientific Reports, February 2020, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  102. Synthesis, Bioevaluation, Structure-Activity Relationship and Docking Studies of Natural Product Inspired (Z)-3-benzylideneisobenzofuran-1(3H)-ones as Highly Potent antioxidants and Antiplatelet agents

    Article • Scientific Reports, February 2020, Springer Science + Business Media

    Dr. MOHIT K TIWARI, Dr. Dharmendra Kumar Yadav, Prof. Sandeep Chaudhary

  103. In silico identification of hydantoin derivatives: a novel natural prolyl hydroxylase inhibitor

    Article • Journal of Biomolecular Structure and Dynamics, January 2020, Taylor & Francis

    Dr. Dharmendra Kumar Yadav

  104. Ligand‐based pharmacophore modeling and docking studies on vitamin D receptor inhibitors

    Article • Journal of Cellular Biochemistry, January 2020, Wiley

    Dr. Dharmendra Kumar Yadav

  105. Immunopathology, host-virus genome interactions, and effective vaccine development in SARS-CoV-2

    Article • Computational and Structural Biotechnology Journal, January 2020, Elsevier

    Dr. Dharmendra Kumar Yadav

  106. Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening and Molecular Dynamic Simulation Study

    Article • October 2019, MDPI AG

    Prof. Sandeep Chaudhary, Dr. Dharmendra Kumar Yadav

  107. Recent Developments in Natural Product Inspired Synthetic 1,2,4- Trioxolanes (Ozonides)

    Article • Current Topics in Medicinal Chemistry, July 2019, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav, Dr. MOHIT K TIWARI, Prof. Sandeep Chaudhary

  108. Comparative Drug Resistance Reversal Potential of Natural Glycosides: Potential of Synergy Niaziridin & Niazirin

    Article • Current Topics in Medicinal Chemistry, July 2019, Bentham Science Publishers

    GAURAV RAJ DWIVEDI, Anupam Maurya , Dr. Dharmendra Kumar Yadav

  109. Molecular Targets for Malarial Chemotherapy: A Review

    Article • Current Topics in Medicinal Chemistry, July 2019, Bentham Science Publishers

    Surendra Kumar, Dr. Dharmendra Kumar Yadav, Prof. Sandeep Chaudhary

  110. Molecular dynamic simulations of oxidized skin lipid bilayer and permeability of reactive oxygen species

    Article • Scientific Reports, March 2019, Springer Science + Business Media

    Prof. Sandeep Chaudhary, Dr. Dharmendra Kumar Yadav

  111. Anti-cancer effect of GV1001 for prostate cancer: function as a ligand of GnRHR

    Article • Endocrine Related Cancer, February 2019, Bioscientifica

    Dr. Dharmendra Kumar Yadav

  112. Identification of novel acetylcholinesterase inhibitors designed by pharmacophore-based virtual screening, molecular docking and bioassay

    Article • Scientific Reports, October 2018, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  113. Insight from Molecular dynamic simulation of reactive oxygen species in oxidized skin membrane

    Article • Scientific Reports, September 2018, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  114. Discovery of Aporphine Analogues as Potential Antiplatelet and Antioxidant Agents: Design, Synthesis, Structure-Activity Relationships, Biological Evaluations, and in silico Molecular Docking Studies

    Article • ChemMedChem, August 2018, Wiley

    Dr. Dharmendra Kumar Yadav, Prof. Sandeep Chaudhary

  115. Insight Into the Molecular Dynamic Simulation Studies of Reactive Oxygen Species in Native Skin Membrane

    Article • Frontiers in Pharmacology, June 2018, Frontiers

    Dr. Dharmendra Kumar Yadav

  116. Synergy of clavine alkaloid ‘chanoclavine’ with tetracycline against multi-drug-resistant E. coli

    Article • Journal of Biomolecular Structure and Dynamics, May 2018, Taylor & Francis

    Dr. Dharmendra Kumar Yadav, GAURAV RAJ DWIVEDI, Vigyasa Singh

  117. Synthesis, biological evaluation and molecular docking study of 1-amino-2-aroylnaphthalenes against prostate cancer

    Article • Bioorganic & Medicinal Chemistry Letters, May 2018, Elsevier

    Dr. Dharmendra Kumar Yadav, Dr Seema Kumari

  118. Discovery of C-3 Tethered 2-oxo-benzo[1,4]oxazines as Potent Antioxidants: Bio-Inspired Based Design, Synthesis, Biological Evaluation, Cytotoxic, and in Silico Molecular Docking Studies

    Article • Frontiers in Chemistry, March 2018, Frontiers

    Dr. Dharmendra Kumar Yadav, Prof. Sandeep Chaudhary

  119. Molecular Insights into the Interaction of RONS and Thieno[3,2-c]pyran Analogs with SIRT6/COX-2: A Molecular Dynamics Study

    Article • Scientific Reports, March 2018, Nature

    Dr. Dharmendra Kumar Yadav, Prof. Sandeep Chaudhary

  120. Non-peptide-based new class of platelet aggregation inhibitors: Design, synthesis, bioevaluation, SAR, and in silico studies

    Article • Archiv der Pharmazie, March 2018, Wiley

    Dr. Dharmendra Kumar Yadav, Prof. Sandeep Chaudhary

  121. Microwave-assisted One-pot Efficient Synthesis of Functionalized 2-Oxo-2-phenylethylidenes-linked 2-Oxobenzo[1,4]oxazines and 2-Oxoquino[1,4]oxalines: Synthetic Applications, Antioxidant Activity, SAR and Cytotoxic Studies

    Article • December 2017, Slovenian Chemical Society

    Dr. Dharmendra Kumar Yadav, Prof. Sandeep Chaudhary

  122. Pharmacological use of a novel scaffold, anomeric N,N-diarylamino tetrahydropyran: molecular similarity search, chemocentric target profiling, and experimental evidence

    Article • Scientific Reports, October 2017, Nature

    Dr. Dharmendra Kumar Yadav

  123. Novel Gomisin B analogues as potential cytotoxic agents: Design, synthesis, biological evaluation and docking studies

    Article • European Journal of Medicinal Chemistry, October 2017, Elsevier

    Dr. Dharmendra Kumar Yadav

  124. The JAK2 inhibitors CEP-33779 and NVP-BSK805 have high P-gp inhibitory activity and sensitize drug-resistant cancer cells to vincristine

    Article • Biochemical and Biophysical Research Communications, September 2017, Elsevier

    Dr. Dharmendra Kumar Yadav

  125. Studies of the benzopyran class of selective COX-2 inhibitors using 3D-QSAR and molecular docking

    Article • Archives of Pharmacal Research, August 2017, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  126. Molecular docking, QSAR and ADMET studies of withanolide analogs against breast cancer

    Article • Drug Design Development and Therapy, June 2017, Dove Medical Press

    Dr. Dharmendra Kumar Yadav, Saloni ., Surendra Kumar, Prasenjit Mitra

  127. The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix

    Article • Journal of Cheminformatics, March 2017, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  128. Proteomics of rare genetic diseases: Impact of cystinosin mutations on protein stability and protein network by dynamic SILAC and interactomics

    Article • Journal of Proteomics & Bioinformatics, January 2017, OMICS Publishing Group

    Dr. Dharmendra Kumar Yadav

  129. New arylated benzo[h]quinolines induce anti-cancer activity by oxidative stress-mediated DNA damage

    Article • Scientific Reports, December 2016, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  130. Software and Web Resources for Computer-Aided Molecular Modeling and Drug Discovery

    Article • March 2016, Taylor & Francis

    Dr. Dharmendra Kumar Yadav

  131. Erratum to: Synthesis, antitubercular activity, and molecular modeling studies of analogues of isoliquiritigenin and liquiritigenin, bioactive components from Glycyrrhiza glabra

    Article • Medicinal Chemistry Research, July 2015, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  132. Synthesis, antitubercular activity, and molecular modeling studies of analogues of isoliquiritigenin and liquiritigenin, bioactive components from Glycyrrhiza glabra

    Article • Medicinal Chemistry Research, July 2015, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  133. Molecular Modeling Based Synthesis and Evaluation of In vitro Anticancer Activity of Indolyl Chalcones

    Article • Current Topics in Medicinal Chemistry, April 2015, Bentham Science Publishers

    Dr BHAKUNI S RAJENDRA, Dr. Dharmendra Kumar Yadav

  134. Influence of reactive species on the modification of biomolecules generated from the soft plasma

    Article • Scientific Reports, February 2015, Nature

    Dr. Dharmendra Kumar Yadav

  135. Drug Resistance Reversal Potential of Ursolic Acid Derivatives against Nalidixic Acid- and Multidrug-resistantEscherichia coli

    Article • Chemical Biology & Drug Design, January 2015, Wiley

    Dr. Dharmendra Kumar Yadav

  136. Synthesis and evaluation of anticancer activity of novel andrographolide derivatives

    Article • MedChemComm, January 2015, Royal Society of Chemistry

    Dr Jonnala Kotesh Kumar, Dr. Dharmendra Kumar Yadav

  137. In vitro antimalarial activity and molecular modeling studies of novel artemisinin derivatives

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr. Dharmendra Kumar Yadav

  138. Molecular Docking and Biological Evaluation of Functionalized benzo[h]quinolines as Colon Cancer Agents

    Article • January 2015, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  139. Support Vector Machine Prediction of Drug Solubility on GPUs

    Article • January 2015, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  140. Induced apoptosis in melanocytes cancer cell and oxidation in biomolecules through deuterium oxide generated from atmospheric pressure non-thermal plasma jet

    Article • Scientific Reports, December 2014, Nature

    Dr. Dharmendra Kumar Yadav

  141. Synthesis of 2-alkoxy and 2-benzyloxy analogues of estradiol as anti-breast cancer agents through microtubule stabilization

    Article • European Journal of Medicinal Chemistry, October 2014, Elsevier

    Dr. Dharmendra Kumar Yadav

  142. QSAR and Docking Based Semi-Synthesis and In Vivo Evaluation of Artemisinin Derivatives for Antimalarial Activity

    Article • Current Drug Targets, July 2014, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  143. 4-Hydroxy-trans-2-nonenal (4-HNE) induces neuronal SH-SY5Y cell death via hampering ATP binding at kinase domain of Akt1

    Article • Archives of Toxicology, May 2014, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  144. QSAR Guided Semi-synthesis and In-Vitro Validation of Anticancer Activity in Ursolic Acid Derivatives

    Article • Current Topics in Medicinal Chemistry, April 2014, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  145. 4-Hydroxy-α-Tetralone and its Derivative as Drug Resistance Reversal Agents in Multi Drug ResistantEscherichia coli

    Article • Chemical Biology & Drug Design, March 2014, Wiley

    Dr. Dharmendra Kumar Yadav

  146. QSAR and docking studies on chalcone derivatives for antitubercular activity againstM. tuberculosisH37Rv

    Article • Journal of Chemometrics, February 2014, Wiley

    Dr. Dharmendra Kumar Yadav

  147. Design, Synthesis and In Vitro Evaluation of 18β-Glycyrrhetinic Acid Derivatives for Anticancer Activity Against Human Breast Cancer Cell Line MCF-7

    Article • Current Medicinal Chemistry, February 2014, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  148. Synthesis of neolignans as microtubule stabilisers

    Article • Bioorganic & Medicinal Chemistry, February 2014, Elsevier

    Dr. Dharmendra Kumar Yadav

  149. QSAR and Docking Based Semi-synthesis and in vitro Evaluation of 18 β-glycyrrhetinic Acid Derivatives Against Human Lung Cancer Cell Line A-549

    Article • Medicinal Chemistry, October 2013, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  150. Molecular Docking and ADME Studies of Natural Compounds of Agarwood Oil for Topical Anti-Inflammatory Activity

    Article • Current Computer - Aided Drug Design, August 2013, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  151. 3-Methylcholanthrene Induces Neurotoxicity in Developing Neurons Derived from Human CD34+Thy1+ Stem Cells by Activation of Aryl Hydrocarbon Receptor

    Article • NeuroMolecular Medicine, July 2013, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  152. Syntheses of lipophilic chalcones and their conformationally restricted analogues as antitubercular agents

    Article • Bioorganic & Medicinal Chemistry Letters, March 2013, Elsevier

    Dr. Dharmendra Kumar Yadav

  153. Pkb/Akt1 Mediates Wnt/GSK3β/β-Catenin Signaling-Induced Apoptosis in Human Cord Blood Stem Cells Exposed to Organophosphate Pesticide Monocrotophos

    Article • Stem Cells and Development, January 2013, Mary Ann Liebert Inc

    Dr. Dharmendra Kumar Yadav

  154. QSAR, docking and ADMET studies of camptothecin derivatives as inhibitors of DNA topoisomerase-I

    Article • Journal of Chemometrics, January 2013, Wiley

    Dr. Dharmendra Kumar Yadav

  155. QSAR, docking and in vitro studies for anti-inflammatory activity of cleomiscosin A methyl ether derivatives

    Article • European Journal of Pharmaceutical Sciences, December 2012, Elsevier

    Dr. Dharmendra Kumar Yadav

  156. QSAR, Docking and ADMET Studies of Artemisinin Derivatives for Antimalarial Activity Targeting Plasmepsin II, a Hemoglobin-Degrading Enzyme from P. falciparum

    Article • Current Pharmaceutical Design, October 2012, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  157. Screening of flavonoids for antitubercular activity and their structure–activity relationships

    Article • Medicinal Chemistry Research, October 2012, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  158. QSAR, docking and in vivo studies for immunomodulatory activity of isolated triterpenoids from Eucalyptus tereticornis and Gentiana kurroo

    Article • European Journal of Pharmaceutical Sciences, August 2012, Elsevier

    Dr. Dharmendra Kumar Yadav

  159. Synthesis and anticancer activity of 2-benzylidene indanones through inhibiting tubulin polymerization

    Article • Bioorganic & Medicinal Chemistry, May 2012, Elsevier

    Dr. Dharmendra Kumar Yadav

  160. Pharmacophore, QSAR, and ADME based semisynthesis and in vitro evaluation of ursolic acid analogs for anticancer activity

    Article • Journal of Molecular Modeling, January 2012, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  161. QSAR and Docking Studies of Gallic Acid Derivatives for Anticancer and Immunomodulatory Activity

    Article • Nature Reports Climate Change, November 2011, Nature

    Dr. Dharmendra Kumar Yadav

  162. QSAR studies on Withanolide analogs for anticancer activity

    Article • Nature Reports Climate Change, November 2011, Nature

    Dr. Dharmendra Kumar Yadav

  163. QSAR and Docking Studies of Gallic Acid Derivatives for Anticancer and Immunomodulatory Activity

    Article • Nature Reports Climate Change, November 2011, Nature

    Dr. Dharmendra Kumar Yadav

  164. QSAR studies on Withanolide analogs for anticancer activity

    Article • Nature Reports Climate Change, November 2011, Nature

    Dr. Dharmendra Kumar Yadav

  165. Pharmacophore modeling, molecular docking, QSAR, and in silico ADMET studies of gallic acid derivatives for immunomodulatory activity

    Article • Journal of Molecular Modeling, October 2011, Springer Science + Business Media

    Dr. Dharmendra Kumar Yadav

  166. In Silico Exploration of Anti-Inflammatory Activity of Natural Coumarinolignoids

    Article • Chemical Biology & Drug Design, August 2011, Wiley

    Dr. Dharmendra Kumar Yadav

  167. Modern Methods & Web Resources in Drug Design & Discovery

    Article • Letters in Drug Design & Discovery, June 2011, Bentham Science Publishers

    Dr. Dharmendra Kumar Yadav

  168. Detection of substrate binding motifs for morphine biosynthetic pathway intermediates in novel wound inducible (R,S)-reticuline 7-O-methyltransferase of Papaver somniferum

    Article • Nature Reports Climate Change, March 2011, Nature

    Dr. Dharmendra Kumar Yadav

  169. Detection of substrate binding motifs for morphine biosynthetic pathway intermediates in novel wound inducible (R,S)-reticuline 7-O-methyltransferase of Papaver somniferum

    Article • Nature Reports Climate Change, March 2011, Nature

    Dr. Dharmendra Kumar Yadav

  170. Docking and QSAR Studies of Camptothecin Derivatives as Inhibitor of DNA Topoisomerase-I

    Article • Nature Reports Climate Change, March 2011, Nature

    Dr. Dharmendra Kumar Yadav

  171. Docking and QSAR Studies of Camptothecin Derivatives as Inhibitor of DNA Topoisomerase-I

    Article • Nature Reports Climate Change, March 2011, Nature

    Dr. Dharmendra Kumar Yadav