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  1. Structure-based drug repurposing reveals ponatinib and lapatinib as stable inhibitors of Aurora kinase B: Mechanistic insights from high-resolution molecular dynamics and free-energy analyses

    Article • Computational Biology and Chemistry, August 2026, Elsevier

    Dr. Taj Mohammad

  2. Global, regional, and national burden of tuberculosis and multidrug-resistant tuberculosis by HIV status, 1990–2023: a systematic analysis for the Global Burden of Disease Study 2023

    Article • The Lancet Infectious Diseases, July 2026, Elsevier

    Professor Alexandru Corlateanu, Dr Syed Muhammad Yousaf Farooq, Assistant Professor Yasir Mufeed Abdulateef, Prof. Shadi Hamouri, Mr Ukachukwu Okoroafor Abaraogu, Muhammad Idrees, Dr Sheikh M Alif, Dr Nelsensius Klau Fauk, Professor KAMRAN ALI, Kathryn H. Jacobsen, Dr junaid amin, Dr Muhammad Shahzad Aslam, Abebe Alemu, Professor Richard James Maude, Dr. Mahmoud Nassar, Godfrey Rwegerera, Dr Shrikant Pawar, Asrat Agalu Abejew, Prof Amit B Sharangi, Dr. Mushtak T.S. Al-Ouqaili, Towhid Hasan, Dr MEHNAZ KAMAL, Dr. Taj Mohammad, Dr Kassaye Demeke Altaye, Dr Shankar M Bakkannavar, Mohammad Meshbahur Rahman, Sumaira Mubarik, Mr Chee Fai Sui

  3. Global, regional, and national burden of road injuries 1990–2023: a systematic analysis for the Global Burden of Disease Study 2023

    Article • The Lancet Public Health, July 2026, Elsevier

    Mohammad Qodrati, Professor KAMRAN ALI, Kathryn H. Jacobsen, Dr Shrikant Pawar, Dr Syed Muhammad Yousaf Farooq, Dr Ahmed A. Madfa, Dr. Mushtak T.S. Al-Ouqaili, Dr Nelsensius Klau Fauk, Mr Ukachukwu Okoroafor Abaraogu, Dr junaid amin, Dr. Taj Mohammad, Dr Shankar M Bakkannavar

  4. Global burden of enteric infectious diseases, diarrhoeal diseases, and corresponding aetiologies, 1990–2023: a systematic analysis for the Global Burden of Disease Study 2023

    Article • The Lancet Infectious Diseases, June 2026, Elsevier

    Dr. Tabarak Malik, Mohammad Qodrati, Javad Javidnia, Kamoru Ademola Adedokun, Prof Dr Mohmed Isaqali Karobari, Dr Syed Muhammad Yousaf Farooq, Asrat Agalu Abejew, Prof. PALASH MANDAL, Fitsum Bekele, Dr MEHNAZ KAMAL, Kathryn H. Jacobsen, Dr Kassaye Demeke Altaye, Prof. Kwabena Obeng Duedu, Mohammad Meshbahur Rahman, James-Paul Kretchy, Dr Senbagam Duraisamy, Dr Amr Hassan, Dr Sheikh M Alif, Professor KAMRAN ALI, Dr Fuad Hamdi Abuadas, Dr Ruth W Kimokoti, Dr Muhammad Shahzad Aslam, Abebe Alemu, Professor Richard James Maude, Dr. Mahmoud Nassar, Godfrey Rwegerera, Dr Shrikant Pawar, Dr Adekunle Sanyaolu, Towhid Hasan, Dr. Taj Mohammad, Dr Salah Thabit Al Awaidy, Dr Shankar M Bakkannavar, Sumaira Mubarik

  5. Updated trends in the global prevalence and burden of mental disorders, 1990–2023: a systematic analysis for the Global Burden of Disease Study 2023

    Article • The Lancet, May 2026, Elsevier

    Dr. Tabarak Malik, Dr Emeka W. Dumbili, Dr. Marjia Sultana, Dr Nelsensius Klau Fauk, Dr Apurba Patra, Dr. Najim Z. Alshahrani, Professor KAMRAN ALI, Dr MEHNAZ KAMAL, Kathryn H. Jacobsen, Deborah Aluh, Mohammad Meshbahur Rahman, Professor Yousef Khader, Dr Jessica A Kerr, Dr Muhammad Shahzad Aslam, Professor Richard James Maude, Godfrey Rwegerera, Towhid Hasan, Dr. Taj Mohammad, Mr Anthony Kwame Morgan, Dr Latefa Ali Dardas

  6. Global, regional, and national burden of breast cancer among females, 1990–2023, with forecasts to 2050: a systematic analysis for the Global Burden of Disease Study 2023

    Article • The Lancet Oncology, March 2026, Elsevier

    Dr Muhammad Shahzad Aslam, Dr. Tabarak Malik, Kamoru Ademola Adedokun, Mr Ukachukwu Okoroafor Abaraogu, Kathryn H. Jacobsen, Dr Ruth W Kimokoti, Dr Syed Muhammad Yousaf Farooq, Mohammad Meshbahur Rahman, Dr. Najim Z. Alshahrani, Professor Yousef Khader, Mesfin Abebe, Muhammad Umar Khan, Dr Vijay Kumar Chattu, Dr Nazarii Kobyliak, Dr Senbagam Duraisamy, Professor Muayyad M Ahmad, Professor Obinna Emmanuel Onwujekwe, Dr Sheikh M Alif, ED Doris V. Ortega-Altamirano, Dr. Taj Mohammad, Dr Latefa Ali Dardas, Dr Khurshid Ahmad

  7. Global, regional, and national burden of meningitis, its risk factors, and aetiologies, 1990–2023: a systematic analysis for the Global Burden of Disease Study 2023

    Article • The Lancet Neurology, March 2026, Elsevier

    Dr Muhammad Shahzad Aslam, Dr. Tabarak Malik, Asrat Agalu Abejew, Dr Mohmmad Khursheed Alam, Kamoru Ademola Adedokun, Prof Dr Mohmed Isaqali Karobari, Faiz Ullah Khan, Professor KAMRAN ALI, Dr MEHNAZ KAMAL, Prof. Manpreet Singh Bhatti, Dr Fuad Hamdi Abuadas, Dr Ruth W Kimokoti, Javad Javidnia, Dr. Mahmoud Nassar, Dr Shrikant Pawar, Dr Amin Mousavi Khaneghah, Dr Senbagam Duraisamy, Dr. Najim Z. Alshahrani, James-Paul Kretchy, Dr Priyadarshini Bhattacharjee, Dr. Alok Atreya, Dr Amr Hassan, Dr Sheikh M Alif, Professor Richard James Maude, Mr. Amadou Barrow, Dr. Taj Mohammad, Dr Latefa Ali Dardas, Assistant professor kebadnew Mulatu Mihretie, Dr Khurshid Ahmad

  8. Phytochemicals as potential AXL inhibitors for cancer therapy: A computational study

    Article • Computational Biology and Chemistry, February 2026, Elsevier

    Dr. Taj Mohammad

  9. Identification of FDA-Approved Drugs as Potential Inhibitors of WEE2: Structure-Based Virtual Screening and Molecular Dynamics with Perspectives for Machine Learning-Assisted Prioritization

    Article • Life, January 2026, MDPI AG

    Dr. Taj Mohammad

  10. Global burden of lower respiratory infections and aetiologies, 1990–2023: a systematic analysis for the Global Burden of Disease Study 2023

    Article • The Lancet Infectious Diseases, December 2025, Elsevier

    Professor KAMRAN ALI, Professor Alexandru Corlateanu, Dr. Mahmoud Nassar, Dr. Tabarak Malik, Dr Muhammad Shahzad Aslam, Dr Mohmmad Khursheed Alam, Dr. Georgios D Panos, Prof Dr Mohmed Isaqali Karobari, Dr Fuad Hamdi Abuadas, Professor Richard James Maude, Dr Syed Muhammad Yousaf Farooq, Dr Shrikant Pawar, Dr Amr Hassan, Assistant Professor Ashok Pandey, Dr Ruth W Kimokoti, Yihun Miskir, Sumaira Mubarik, Kamoru Ademola Adedokun, Faiz Ullah Khan, Dr Arman Abdous, James-Paul Kretchy, Dr. Najim Z. Alshahrani, Prof. Manpreet Singh Bhatti, Asrat Agalu Abejew, Professor Yousef Khader, Dr Amin Mousavi Khaneghah, Dr Vijay Kumar Chattu, Dr Senbagam Duraisamy, Professor Muayyad M Ahmad, Dr Priyadarshini Bhattacharjee, Dr Sheikh M Alif, Dr. Taj Mohammad, Dr Khurshid Ahmad

  11. Exploring TANK-Binding Kinase 1 in Amyotrophic Lateral Sclerosis: From Structural Mechanisms to Machine Learning-Guided Therapeutics

    Article • Life, October 2025, MDPI AG

    Dr. Taj Mohammad

  12. Global, regional, and national sepsis incidence and mortality, 1990–2021: a systematic analysis

    Article • The Lancet Global Health, October 2025, Elsevier

    Dr Syed Muhammad Yousaf Farooq, Asrat Agalu Abejew, Mesfin Abebe, Felix Nyande, Kamoru Ademola Adedokun, Dr. Mahmoud Nassar, Dr Mohammed Kuddus, Dr. Najim Z. Alshahrani, Dr. Mohamed Omar Saad, Javad Javidnia, James-Paul Kretchy, Dr. Alok Atreya, Mr. Amadou Barrow, Dr. Taj Mohammad

  13. Aggregation-Prone Pathogenic SOD1 Variants in Amyotrophic Lateral Sclerosis: Insights from Computational Genomics and Evolutionary Conservation

    Article • Journal of Molecular Neuroscience, August 2025, Springer Science + Business Media

    Dr. Taj Mohammad

  14. Structure-based identification of bioactive compounds as trace amine-associated receptor 1 agonists for the therapeutic management of major depressive disorder

    Article • PLOS One, August 2025, PLOS

    Dr. Taj Mohammad

  15. Decoding Myosin-3 mutational hotspots: Linking deleterious variants to Duchenne muscular dystrophy severity and psychiatric comorbidities

    Article • PLOS One, July 2025, PLOS

    Dr. Taj Mohammad

  16. Emerging biomarkers in amyotrophic lateral sclerosis: from pathogenesis to clinical applications

    Article • Frontiers in Molecular Biosciences, June 2025, Frontiers

    Dr. Taj Mohammad

  17. Microbial metabolite ammonia disrupts TGF-β signaling to promote colon cancer

    Article • Journal of Biological Chemistry, June 2025, Elsevier

    Dr. Taj Mohammad, Professor Keith A Crandall

  18. Discovering Novel Biomarkers and Potential Therapeutic Targets of Amyotrophic Lateral Sclerosis Through Integrated Machine Learning and Gene Expression Profiling

    Article • Journal of Molecular Neuroscience, April 2025, Springer Science + Business Media

    Dr. Taj Mohammad

  19. Seven Hub Genes Associated with Huntington’s Disease and Diagnostic and Therapeutic Potentials Identified by Computational Biology

    Article • OMICS A Journal of Integrative Biology, April 2025, Mary Ann Liebert Inc

    Dr. Taj Mohammad

  20. Biochemical Screening of Phytochemicals and Identification of Scopoletin as a Potential Inhibitor of SARS-CoV-2 Mpro, Revealing Its Biophysical Impact on Structural Stability

    Article • Viruses, March 2025, MDPI AG

    Professor Asimul Islam, Dr. Taj Mohammad

  21. Therapeutic Targeting of Interleukin-2-Inducible T-Cell Kinase (ITK) for Cancer and Immunological Disorders: Potential Next-Generation ITK Inhibitors

    Article • OMICS A Journal of Integrative Biology, March 2025, Mary Ann Liebert Inc

    Dr. Taj Mohammad

  22. Phytochemicals Withanolide N and Dryobalanolide as Potential Bioactive Leads for Developing Anticancer Drugs Targeting Tyrosine-Protein Kinase Mer

    Article • OMICS A Journal of Integrative Biology, February 2025, Mary Ann Liebert Inc

    Dr. Taj Mohammad

  23. Discovering potential ERK1 inhibitors from natural products for therapeutic targeting of Alzheimer's disease

    Article • Journal of Alzheimer’s Disease, January 2025, SAGE Publications

    Dr. Taj Mohammad

  24. Phytochemicals Neogitogenin and Samogenin Hold Potentials for Hepatocyte Growth Factor Receptor-Targeted Cancer Treatment

    Article • OMICS A Journal of Integrative Biology, November 2024, Mary Ann Liebert Inc

    Dr. Taj Mohammad

  25. Aldehydes alter TGF-β signaling and induce obesity and cancer

    Article • Cell Reports, September 2024, Elsevier

    Professor Keith A Crandall, Dr. Taj Mohammad

  26. Identification of high-affinity pyridoxal kinase inhibitors targeting cancer therapy: an integrated docking and molecular dynamics simulation approach

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

    Dr. Taj Mohammad

  27. Identification of novel c -Kit inhibitors from natural sources using virtual screening and molecular dynamics simulations

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

    Dr. Taj Mohammad

  28. 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

  29. Identification of natural product-based effective inhibitors of spleen tyrosine kinase (SYK) through virtual screening and molecular dynamics simulation approaches

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

    Dr. Taj Mohammad

  30. Discovering potential inhibitors of Raf proto-oncogene serine/threonine kinase 1: a virtual screening approach towards anticancer drug development

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

    Dr. Taj Mohammad

  31. Iron response elements (IREs)-mRNA of Alzheimer's amyloid precursor protein binding to iron regulatory protein (IRP1): a combined molecular docking and spectroscopic approach

    Article • Scientific Reports, March 2023, Springer Science + Business Media

    Dr. Taj Mohammad

  32. A virtual screening investigation to identify bioactive natural compounds as potential inhibitors of cyclin-dependent kinase 9

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

    Prof. Saleh S. Baeesa, Dr. Taj Mohammad

  33. 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

  34. Unravelling hub genes as potential therapeutic targets in lung cancer using integrated transcriptomic meta-analysis and in silico approach

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

    Ravins Dohare, Dr. Taj Mohammad

  35. Desmodin and isopongachromene as potential inhibitors of cyclin-dependent kinase 5: phytoconstituents targeting anticancer and neurological therapy

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

    Prof. Saleh S. Baeesa, Dr. Taj Mohammad

  36. Identifying Isoononin and Candidissiol as Rho-associated protein kinase 1 (ROCK1) inhibitors: a combined virtual screening and MD simulation approach

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

    Dr. Taj Mohammad

  37. A multi-spectroscopic and computational simulations study to delineate the interaction between antimalarial drug hydroxychloroquine and human serum albumin

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

    Dr. Mohammad Abid, Dr. Taj Mohammad

  38. Searching for Novel Anaplastic Lymphoma Kinase Inhibitors: Structure-Guided Screening of Natural Compounds for a Tyrosine Kinase Therapeutic Target in Cancers

    Article • OMICS A Journal of Integrative Biology, August 2022, Mary Ann Liebert Inc

    Dr. Taj Mohammad

  39. Fructosylation of human insulin causes AGEs formation, structural perturbations and morphological changes: an in silico and multispectroscopic study

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

    Dr. Taj Mohammad

  40. Death-Associated Protein Kinase 3 Inhibitors Identified by Virtual Screening for Drug Discovery in Cancer and Hypertension

    Article • OMICS A Journal of Integrative Biology, July 2022, Mary Ann Liebert Inc

    Dr. Taj Mohammad

  41. 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

  42. Therapeutic targeting of TANK-binding kinase signaling towards anticancer drug development: Challenges and opportunities

    Article • International Journal of Biological Macromolecules, May 2022, Elsevier

    Dr. Taj Mohammad

  43. 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

  44. 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

  45. 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

  46. FNDC5/Irisin: Physiology and Pathophysiology

    Article • Molecules, February 2022, MDPI AG

    Dr Anis Ahmad Chaudhary, Professor Asimul Islam, Dr. Taj Mohammad

  47. Impact of Single Amino Acid Substitutions in Parkinsonism-Associated Deglycase-PARK7 and Their Association with Parkinson’s Disease

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

    Prof. moyad jamal shahwan, Dr. Taj Mohammad

  48. 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

  49. 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

  50. β2-spectrin (SPTBN1) as a therapeutic target for diet-induced liver disease and preventing cancer development

    Article • Science Translational Medicine, December 2021, American Association for the Advancement of Science

    Dr. Taj Mohammad

  51. 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

  52. Impact of Deleterious Mutations on Structure, Function and Stability of Serum/Glucocorticoid Regulated Kinase 1: A Gene to Diseases Correlation

    Article • Frontiers in Molecular Biosciences, November 2021, Frontiers

    Dr. Taj Mohammad

  53. 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

  54. 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

  55. Thymoquinone and quercetin induce enhanced apoptosis in non‐small cell lung cancer in combination through the Bax/Bcl2 cascade

    Article • Journal of Cellular Biochemistry, October 2021, Wiley

    Dr. Taj Mohammad

  56. 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

  57. Phytoconstituents and Medicinal Plants for Anticancer Drug Discovery: Computational Identification of Potent Inhibitors of PIM1 Kinase

    Article • OMICS A Journal of Integrative Biology, September 2021, Mary Ann Liebert Inc

    Dr. Taj Mohammad

  58. Discovery of Natural Compounds as Potential Inhibitors of Human Carbonic Anhydrase II: An Integrated Virtual Screening, Docking, and Molecular Dynamics Simulation Study

    Article • OMICS A Journal of Integrative Biology, August 2021, Mary Ann Liebert Inc

    Dr. Taj Mohammad

  59. Vitamin D and lumisterol novel metabolites can inhibit SARS-CoV-2 replication machinery enzymes

    Article • AJP Endocrinology and Metabolism, August 2021, American Physiological Society

    Dr. Taj Mohammad

  60. Targeting pyruvate dehydrogenase kinase signaling in the development of effective cancer therapy

    Article • Biochimica et Biophysica Acta (BBA) - Reviews on Cancer, August 2021, Elsevier

    Dr. Taj Mohammad

  61. Impact of single amino acid substitution on the structure and function of TANK‐binding kinase‐1

    Article • Journal of Cellular Biochemistry, July 2021, Wiley

    Professor Asimul Islam, Dr. Taj Mohammad

  62. Identification of plant-based hexokinase 2 inhibitors: combined molecular docking and dynamics simulation studies

    Article • Journal of Biomolecular Structure and Dynamics, June 2021, Taylor & Francis

    Dr. Taj Mohammad

  63. Aurora B kinase: a potential drug target for cancer therapy

    Article • Journal of Cancer Research and Clinical Oncology, May 2021, Springer Science + Business Media

    Dr. Taj Mohammad

  64. Impact of non-synonymous mutations on the structure and function of telomeric repeat binding factor 1

    Article • Journal of Biomolecular Structure and Dynamics, May 2021, Taylor & Francis

    Dr. Taj Mohammad

  65. Structural genomics approach to investigate deleterious impact of nsSNPs in conserved telomere maintenance component 1

    Article • Scientific Reports, May 2021, Springer Science + Business Media

    Dr. Taj Mohammad

  66. Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations

    Article • Saudi Journal of Biological Sciences, April 2021, Elsevier

    Dr. Taj Mohammad

  67. Potential drug targets of SARS-CoV-2: From genomics to therapeutics

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

    Dr. Taj Mohammad

  68. A computational study on active constituents ofHabb-ul-aasandTabasheeras inhibitors of SARS-CoV-2 main protease

    Article • Journal of Biomolecular Structure and Dynamics, March 2021, Taylor & Francis

    Dr. Taj Mohammad

  69. Multispectroscopic and Molecular Docking Insight into Elucidating the Interaction of Irisin with Rivastigmine Tartrate: A Combinational Therapy Approach to Fight Alzheimer’s Disease

    Article • ACS Omega, March 2021, American Chemical Society (ACS)

    Professor Asimul Islam, Dr. Taj Mohammad

  70. Insight into the binding of PEG-400 with eye protein alpha-crystallin: Multi spectroscopic and computational approach: possible therapeutics targeting eye diseases

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

    Professor Asimul Islam, Dr. Taj Mohammad

  71. Impact of amino acid substitution in the kinase domain of Bruton tyrosine kinase and its association with X-linked agammaglobulinemia

    Article • International Journal of Biological Macromolecules, December 2020, Elsevier

    Dr. Taj Mohammad

  72. Evaluation of Binding of Rosmarinic Acid with Human Transferrin and Its Impact on the Protein Structure: Targeting Polyphenolic Acid-Induced Protection of Neurodegenerative Disorders

    Article • Oxidative Medicine and Cellular Longevity, November 2020, Hindawi Publishing Corporation

    Dr. Taj Mohammad, Professor Asimul Islam

  73. InstaDock: A single-click graphical user interface for molecular docking-based virtual high-throughput screening

    Article • Briefings in Bioinformatics, October 2020, Oxford University Press (OUP)

    Dr. Taj Mohammad

  74. Identification of high-affinity inhibitors of SARS-CoV-2 main protease: Towards the development of effective COVID-19 therapy

    Article • Virus Research, October 2020, Elsevier

    Professor Asimul Islam, Dr. Taj Mohammad

  75. Insights into SARS-CoV-2 genome, structure, evolution, pathogenesis and therapies: Structural genomics approach

    Article • Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease, October 2020, Elsevier

    Dr. Taj Mohammad

  76. Identification and structure–activity relationship (SAR) studies of carvacrol derivatives as potential anti-malarial against Plasmodium falciparum falcipain-2 protease

    Article • Bioorganic Chemistry, October 2020, Elsevier

    Dr. Taj Mohammad

  77. Discovery of Harmaline as a Potent Inhibitor of Sphingosine Kinase-1: A Chemopreventive Role in Lung Cancer

    Article • ACS Omega, August 2020, American Chemical Society (ACS)

    Dr. Taj Mohammad

  78. Biophysical Insights into Implications of PEG-400 on the α-Crystallin Structure: Multispectroscopic and Microscopic Approach

    Article • ACS Omega, July 2020, American Chemical Society (ACS)

    Professor Asimul Islam, Dr. Taj Mohammad

  79. Design and Development of Novel Urea, Sulfonyltriurea, and Sulfonamide Derivatives as Potential Inhibitors of Sphingosine Kinase 1

    Article • Pharmaceuticals, June 2020, MDPI AG

    Dr. Taj Mohammad

  80. Insights into the Conserved Regulatory Mechanisms of Human and Yeast Aging

    Article • Biomolecules, June 2020, MDPI AG

    Dr. Taj Mohammad

  81. Identification of Sphingosine Kinase-1 Inhibitors from Bioactive Natural Products Targeting Cancer Therapy

    Article • ACS Omega, June 2020, American Chemical Society (ACS)

    Dr. Taj Mohammad

  82. Glecaprevir and Maraviroc are high-affinity inhibitors of SARS-CoV-2 main protease: possible implication in COVID-19 therapy

    Article • Bioscience Reports, June 2020, Portland Press Ltd.

    Dr. Taj Mohammad, Professor Asimul Islam

  83. MARK4 Inhibited by AChE Inhibitors, Donepezil and Rivastigmine Tartrate: Insights into Alzheimer’s Disease Therapy

    Article • Biomolecules, May 2020, MDPI AG

    Dr. Taj Mohammad, Professor Asimul Islam

  84. Discovery of Hordenine as a Potential Inhibitor of Pyruvate Dehydrogenase Kinase 3: Implication in Lung Cancer Therapy

    Article • Biomedicines, May 2020, MDPI AG

    Dr. Taj Mohammad, Prof. Dr. Abdullah M. Asiri

  85. Structure, function and therapeutic implications of OB-fold proteins: A lesson from past to present

    Article • Briefings in Functional Genomics, May 2020, Oxford University Press (OUP)

    Ravins Dohare, Professor Asimul Islam, Dr. Taj Mohammad

  86. Probing the interaction of Rivastigmine Tartrate, an important Alzheimer's drug, with serum albumin: Attempting treatment of Alzheimer's disease

    Article • International Journal of Biological Macromolecules, April 2020, Elsevier

    Professor Asimul Islam, Dr. Taj Mohammad

  87. Virtual Screening Approach to Identify High-Affinity Inhibitors of Serum and Glucocorticoid-Regulated Kinase 1 among Bioactive Natural Products: Combined Molecular Docking and Simulation Studies

    Article • Molecules, February 2020, MDPI AG

    Dr. Taj Mohammad, Professor Asimul Islam

  88. Identification of high-affinity inhibitors of pyruvate dehydrogenase kinase-3: towards therapeutic management of cancer

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

    Dr. Taj Mohammad, Professor Asimul Islam

  89. Targeting metacaspase-3 from Plasmodium falciparum towards antimalarial therapy: A combined approach of in-silico and in-vitro investigation

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

    Dr. Taj Mohammad, Professor Asimul Islam

  90. Mutated CEACAMs Disrupt Transforming Growth Factor Beta Signaling and Alter the Intestinal Microbiome to Promote Colorectal Carcinogenesis

    Article • Gastroenterology, January 2020, Elsevier

    Dr. Taj Mohammad, Professor Keith A Crandall

  91. Investigation of conformational dynamics of Tyr89Cys mutation in protection of telomeres 1 gene associated with familial melanoma

    Article • Journal of Biomolecular Structure and Dynamics, December 2019, Taylor & Francis

    Dr. Taj Mohammad, Ravins Dohare, Professor Asimul Islam

  92. Identification of High-Affinity Inhibitors of Cyclin-Dependent Kinase 2 Towards Anticancer Therapy

    Article • Molecules, December 2019, MDPI AG

    Dr. Taj Mohammad

  93. Evaluation of binding and inhibition mechanism of dietary phytochemicals with sphingosine kinase 1: Towards targeted anticancer therapy

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

    Dr. Taj Mohammad

  94. Virtual high-throughput screening of natural compounds in-search of potential inhibitors for protection of telomeres 1 (POT1)

    Article • Journal of Biomolecular Structure and Dynamics, October 2019, Taylor & Francis

    Dr. Taj Mohammad, Professor Asimul Islam, Ravins Dohare

  95. Evaluation of ellagic acid as an inhibitor of sphingosine kinase 1: A targeted approach towards anticancer therapy

    Article • Biomedicine & Pharmacotherapy, October 2019, Elsevier

    Dr. Taj Mohammad

  96. Identification and evaluation of glutathione conjugate gamma-l-glutamyl-l-cysteine for improved drug delivery to the brain

    Article • Journal of Biomolecular Structure and Dynamics, September 2019, Taylor & Francis

    Dr. Taj Mohammad, Professor Farhan Jalees Ahmad

  97. Unraveling Binding Mechanism of Alzheimer’s Drug Rivastigmine Tartrate with Human Transferrin: Molecular Docking and Multi-Spectroscopic Approach towards Neurodegenerative Diseases

    Article • Biomolecules, September 2019, MDPI AG

    Dr. Taj Mohammad, Prof. moyad jamal shahwan, Professor Asimul Islam

  98. Investigation of inhibitory potential of quercetin to the pyruvate dehydrogenase kinase 3: Towards implications in anticancer therapy

    Article • International Journal of Biological Macromolecules, September 2019, Elsevier

    Dr. Taj Mohammad, Professor Asimul Islam

  99. Identification of α-Mangostin as a Potential Inhibitor of Microtubule Affinity Regulating Kinase 4

    Article • Journal of Natural Products, July 2019, American Chemical Society (ACS)

    Dr. Taj Mohammad

  100. Structural Analysis and Conformational Dynamics of STN1 Gene Mutations Involved in Coat Plus Syndrome

    Article • Frontiers in Molecular Biosciences, June 2019, Frontiers

    Dr. Taj Mohammad, Ravins Dohare, Professor Asimul Islam

  101. Investigating the structural features of chromodomain proteins in the human genome and predictive impacts of their mutations in cancers

    Article • International Journal of Biological Macromolecules, June 2019, Elsevier

    Dr. Taj Mohammad

  102. Structural and functional impact of non-synonymous SNPs in the CST complex subunit TEN1: structural genomics approach

    Article • Bioscience Reports, May 2019, Portland Press Ltd.

    Dr. Taj Mohammad, Ravins Dohare

  103. Impact of Gln94Glu mutation on the structure and function of protection of telomere 1, a cause of cutaneous familial melanoma

    Article • Journal of Biomolecular Structure and Dynamics, April 2019, Taylor & Francis

    Dr. Taj Mohammad, Professor Asimul Islam, Ravins Dohare

  104. Identification and Evaluation of Inhibitors of Lipase from Malassezia restricta using Virtual High-Throughput Screening and Molecular Dynamics Studies

    Article • International Journal of Molecular Sciences, February 2019, MDPI AG

    Dr. Taj Mohammad, Dr. Faez Iqbal Khan

  105. Molecular interaction studies on ellagic acid for its anticancer potential targeting pyruvate dehydrogenase kinase 3

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Dr. Taj Mohammad

  106. Docking and Molecular Dynamics Simulations in Drug Discovery Process

    Article • Current Topics in Medicinal Chemistry, December 2018, Bentham Science Publishers

    Dr. Taj Mohammad

  107. Structural and functional impact of non- synonymous SNPs in the CST complex subunit TEN1: Structural genomics approach

    Article • December 2018, Cold Spring Harbor Laboratory Press

    Dr. Taj Mohammad

  108. Investigation of deleterious effects of nsSNPs in thePOT1gene: a structural genomics‐based approach to understand the mechanism of cancer development

    Article • Journal of Cellular Biochemistry, December 2018, Wiley

    Dr. Taj Mohammad, Ravins Dohare, Professor Asimul Islam

  109. Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)

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

    Dr. Taj Mohammad, Dr. Faez Iqbal Khan, Professor Asimul Islam

  110. Exploring molecular insights into the interaction mechanism of cholesterol derivatives with the Mce4A: A combined spectroscopic and molecular dynamic simulation studies

    Article • International Journal of Biological Macromolecules, May 2018, Elsevier

    Dr. Taj Mohammad, Dr. Faez Iqbal Khan, Professor Asimul Islam

  111. Investigation of molecular mechanism of recognition between citral and MARK4: A newer therapeutic approach to attenuate cancer cell progression

    Article • International Journal of Biological Macromolecules, February 2018, Elsevier

    Dr. Faez Iqbal Khan, Dr. Taj Mohammad, Professor Asimul Islam