All Stories

  1. In silico Optimization of Dihydroorotate dehydrogenase Inhibitors for Malaria viaDocking, Molecular Dynamics, and ADMET Evaluation

    Article • Discover Molecules, February 2026, Springer Science + Business Media

    Manikanta Murahari

  2. Study of Class I HDAC-1, -2, and -3 Inhibitors Designed by Bioisosteric Replacement of Zinc Binding Groups and Caps of Traditional Pan Inhibitors: An In Silico Approach

    Article • Current HIV Research, January 2026, Bentham Science Publishers

    Manikanta Murahari

  3. Covalent Inhibitors - An Overview of Design Process, Challenges and Future Directions

    Article • Current Organic Chemistry, October 2025, Bentham Science Publishers

    Manikanta Murahari

  4. Metronidazole—An Old Drug for Structure Optimization and Repurposing

    Article • Chemistry & Biodiversity, June 2025, Wiley

    Manikanta Murahari

  5. Diaryl Diimidazopyrimidine Derivatives as Potent Inhibitors of Influenza A Virus: Synthesis, Evaluation and Docking Studies

    Article • Drug Development Research, April 2025, Wiley

    Manikanta Murahari

  6. Virtual screening and molecular fingerprinting for in silico designing of potential CCR5 inhibitors targeting HIV therapy

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

    Manikanta Murahari

  7. Biosimilar in Cervical Cancer

    Article • January 2024, Springer Science + Business Media

    Manikanta Murahari

  8. LAG-3 Inhibitors for the Treatment of Lung Cancer

    Article • January 2024, Springer Science + Business Media

    Manikanta Murahari

  9. Structure-based virtual screening of natural compounds against wild and mutant (R1155K, A1156T and D1168A) NS3-4A protease of Hepatitis C virus

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

    Manikanta Murahari

  10. Virtual Screening of a Marine Natural Product Database for In Silico Identification of a Potential Acetylcholinesterase Inhibitor

    Article • Life, May 2023, MDPI AG

    Manikanta Murahari

  11. Vanillin based crosslinked films of CMCh-PVA for wound healing application

    Article • Journal of Drug Delivery Science and Technology, May 2023, Elsevier

    Dr Tanmoy Ghosh , Manikanta Murahari

  12. Ligand-based pharmacophore modeling and QSAR approach to identify potential dengue protease inhibitors

    Article • Frontiers in Molecular Biosciences, February 2023, Frontiers

    Manikanta Murahari

  13. miRNA and antisense oligonucleotide-based α-synuclein targeting as disease-modifying therapeutics in Parkinson’s disease

    Article • Frontiers in Pharmacology, November 2022, Frontiers

    Manikanta Murahari

  14. Pharmacoinformatics based screening of combined synthetic and natural compounds to identify novel and in silico potential Bcl-2 inhibitors

    Article • Journal of Molecular Liquids, November 2022, Elsevier

    Manikanta Murahari

  15. A comprehensive review on acridone based derivatives as future anti-cancer agents and their structure activity relationships

    Article • European Journal of Medicinal Chemistry, September 2022, Elsevier

    Manikanta Murahari, Professor Godefridus J Peters

  16. Synthesis and Pharmacological Evaluation of Hexafluoro Functionalized Quinolone Derivatives as Potential Chemotherapeutic Agents

    Article • ChemistrySelect, July 2022, Wiley

    Manikanta Murahari

  17. Studies on ligand-based pharmacophore modeling approach in identifying potent future EGFR inhibitors

    Article • Journal of Molecular Graphics and Modelling, May 2022, Elsevier

    Manikanta Murahari

  18. Computational design of MmpL3 inhibitors for tuberculosis therapy

    Article • Molecular Diversity, April 2022, Springer Science + Business Media

    Manikanta Murahari

  19. Development and Characterization of Copper Cross-Linked Freeze-Dried Bioscaffolds for Potential Wound Healing Activity

    Article • Journal of Pharmaceutical Innovation, January 2022, Springer Science + Business Media

    Dr Tanmoy Ghosh , Manikanta Murahari

  20. Supramolecular ternary inclusion complexes of Irbesartan with hydroxypropyl-beta-cyclodextrin

    Article • Journal of Drug Delivery Science and Technology, January 2022, Elsevier

    Manikanta Murahari

  21. Some metal chelates with Schiff base ligand: synthesis, structure elucidation, thermal behavior, XRD evaluation, antioxidant activity, enzyme inhibition, and molecular docking studies

    Article • Molecular Diversity, November 2021, Springer Science + Business Media

    Manikanta Murahari

  22. Enzyme inhibitory function and phytochemical profile of Inula discoidea using in vitro and in silico methods

    Article • Biophysical Chemistry, October 2021, Elsevier

    Manikanta Murahari, Mr Mustafa A YILMAZ

  23. Ligand-based design approach of potential Bcl-2 inhibitors for cancer chemotherapy

    Article • Computer Methods and Programs in Biomedicine, September 2021, Elsevier

    Manikanta Murahari

  24. Computational study for identifying promising therapeutic agents of hydroxychloroquine analogues against SARS‐CoV‐2

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

    Manikanta Murahari

  25. Screening of natural compounds from Cyperus rotundus Linn against SARS-CoV-2 main protease (Mpro): An integrated computational approach

    Article • Computers in Biology and Medicine, July 2021, Elsevier

    Manikanta Murahari

  26. Structure-based design approach of potential BCL-2 inhibitors for cancer chemotherapy

    Article • Computers in Biology and Medicine, July 2021, Elsevier

    Manikanta Murahari

  27. Experimental and computational insight of the supramolecular complexes of Irbesartan with β-cyclodextrin based nanosponges

    Article • Journal of Drug Delivery Science and Technology, June 2021, Elsevier

    Manikanta Murahari

  28. Synthesis, Characterization, Enzyme Inhibitory Activity, and Molecular Docking Analysis of a New Series of Thiophene-Based Heterocyclic Compounds

    Article • Russian Journal of Organic Chemistry, April 2021, Pleiades Publishing Ltd

    Manikanta Murahari

  29. In silico screening of therapeutic potentials from Strychnos nux-vomica against the dimeric main protease (Mpro) structure of SARS-CoV-2

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

    Manikanta Murahari

  30. Study of Combinatorial Drug Synergy of Novel Acridone Derivatives With Temozolomide Using in-silico and in-vitro Methods in the Treatment of Drug-Resistant Glioma

    Article • Frontiers in Oncology, March 2021, Frontiers

    Manikanta Murahari, Professor Godefridus J Peters

  31. In-silico strategies of some selected phytoconstituents from Melissa officinalis as SARS CoV-2 main protease and spike protein (COVID-19) inhibitors

    Article • Molecular Simulation, February 2021, Taylor & Francis

    Manikanta Murahari

  32. Transition metal complexes of a multidentate Schiff base ligand containing pyridine: synthesis, characterization, enzyme inhibitions, antioxidant properties, and molecular docking studies

    Article • BioMetals, February 2021, Springer Science + Business Media

    Manikanta Murahari

  33. Structure based pharmacophore modelling approach for the design of azaindole derivatives as DprE1 inhibitors for tuberculosis

    Article • Journal of Molecular Graphics and Modelling, December 2020, Elsevier

    Manikanta Murahari

  34. Potential of Probiotics in the Management of Lung Cancer

    Article • November 2020, Springer Science + Business Media

    Manikanta Murahari

  35. In silicoidentification of potential inhibitors fromCinnamonagainst main protease and spike glycoprotein of SARS CoV-2

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

    Manikanta Murahari

  36. A Critical Review on Anticancer Mechanisms of Natural Flavonoid Puerarin

    Article • Anti-Cancer Agents in Medicinal Chemistry, June 2020, Bentham Science Publishers

    Pramila Chaubey, Manikanta Murahari

  37. In silico approach towards the identification of potential inhibitors from Curcuma amada Roxb against H. pylori: ADMET screening and molecular docking studies

    Article • Bioimpacts, March 2020, MaadRayan Publishing Company

    Manikanta Murahari

  38. Synthesis of 3, 4-dihydropyrimidin-2(1H)-one derivatives and evaluation of their antibacterial activity

    Article • January 2020, American Institute of Physics

    Manikanta Murahari

  39. Design Potent Telomerase Inhibitors Using Structure Based Approaches

    Article • November 2019, Royal Society of Chemistry

    Manikanta Murahari

  40. Current overview on the clinical update of Bcl-2 anti-apoptotic inhibitors for cancer therapy

    Article • European Journal of Pharmacology, November 2019, Elsevier

    Manikanta Murahari

  41. Reappraisal of FDA approved drugs against Alzheimer’s disease based on differential gene expression and protein interaction network analysis: an in silico approach

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

    Hema Sree G N S, Manikanta Murahari

  42. Hit identification and drug repositioning of potential non-nucleoside reverse transcriptase inhibitors by structure-based approach using computational tools (part II)

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

    Jaydeep Roy, Manikanta Murahari

  43. Improved treatment efficacy of risedronate functionalized chitosan nanoparticles in osteoporosis: formulation development, in vivo, and molecular modelling studies

    Article • Journal of Microencapsulation, May 2019, Taylor & Francis

    Dr Dhrubojyoti Mukherjee, Anbu Jayaraman, Manikanta Murahari

  44. Design of metronidazole derivatives and flavonoids as potential non-nucleoside reverse transcriptase inhibitors using combined ligand- and structure-based approaches

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

    Jaydeep Roy, Manikanta Murahari

  45. Ligand based design and synthesis of pyrazole based derivatives as selective COX-2 inhibitors

    Article • Bioorganic Chemistry, May 2019, Elsevier

    Manikanta Murahari

  46. Synthesis of novel gefitinib‐based derivatives and their anticancer activity

    Article • Archiv der Pharmazie, April 2019, Wiley

    Manikanta Murahari

  47. An update on Drug Repurposing: Re-written saga of the drug’s fate

    Article • Biomedicine & Pharmacotherapy, February 2019, Elsevier

    Manikanta Murahari

  48. Role of Natural Products in Glaucoma Management

    Article • January 2019, Elsevier

    Manikanta Murahari

  49. Host-guest interaction study of Efavirenz with hydroxypropyl‑β‑cyclodextrin and l‑arginine by computational simulation studies: Preparation and characterization of supramolecular complexes

    Article • Journal of Molecular Liquids, June 2018, Elsevier

    Manikanta Murahari

  50. Study on effect of L-arginine on solubility and dissolution of Zaltoprofen: Preparation and characterization of binary and ternary cyclodextrin inclusion complexes

    Article • Chemical Physics Letters, February 2018, Elsevier

    Manikanta Murahari

  51. Phytochemicals and PI3K Inhibitors in Cancer—An Insight

    Article • Frontiers in Pharmacology, December 2017, Frontiers

    Manikanta Murahari

  52. Acridone-pyrimidine hybrids- design, synthesis, cytotoxicity studies in resistant and sensitive cancer cells and molecular docking studies

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

    Manikanta Murahari, Professor Godefridus J Peters

  53. Complexation of phytochemicals with cyclodextrin derivatives – An insight

    Article • Biomedicine & Pharmacotherapy, April 2017, Elsevier

    Manikanta Murahari

  54. Design, synthesis, biological evaluation, molecular docking and QSAR studies of 2,4-dimethylacridones as anticancer agents

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

    Manikanta Murahari

  55. Inclusion Complexes of Nateglinide with HP–β–CD and L-Arginine for Solubility and Dissolution Enhancement: Preparation, Characterization, and Molecular Docking Study

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

    Dr Gurubasavaraj V Pujar, Manikanta Murahari

  56. Inclusion Complexation of Etodolac with Hydroxypropyl-beta-cyclodextrin and Auxiliary Agents: Formulation Characterization and Molecular Modeling Studies

    Article • Molecular Pharmaceutics, March 2017, American Chemical Society (ACS)

    Manikanta Murahari

  57. Current Overview on the Usage of Poly(ADP-ribose)polymerase (PARP) Inhibitors in Treating Cancer

    Article • Clinical Cancer Drugs, May 2014, Bentham Science Publishers

    Manikanta Murahari

  58. Identification and Usage of Fluorescent Probes as Nanoparticle Contrast Agents in Detecting Cancer

    Article • Current Pharmaceutical Design, June 2013, Bentham Science Publishers

    Manikanta Murahari