All Stories

  1. Virtual screening, docking, molecular dynamics study of efflux pump inhibitors against Helicobacter pylori

    Article • Chemical Papers, October 2024, Springer Science + Business Media

    Mr Dhananjay Dasiram Jade

  2. “Affimer” synthetic protein scaffolds block oxidized LDL binding to the LOX-1 scavenger receptor and inhibit ERK1/2 activation

    Article • Journal of Biological Chemistry, November 2023, Elsevier

    Mr Dhananjay Dasiram Jade

  3. In-silico prediction, characterization, molecular docking and dynamic simulation studies for screening potential fungicides against leaf rust of Triticum aestivum

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

    Mr Dhananjay Dasiram Jade

  4. Virtual high throughput screening of natural peptides against ErbB1 and ErbB2 to identify potential inhibitors for cancer chemotherapy

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

    Mr Dhananjay Dasiram Jade

  5. Homology modelling and molecular simulation approach to prediction of B-cell and T-cell epitopes in an OMP25 peptide vaccine against Brucella abortus

    Article • Molecular Simulation, January 2023, Taylor & Francis

    Mr Dhananjay Dasiram Jade

  6. Identification of FDA-approved drugs against SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) through computational virtual screening

    Article • Structural Chemistry, November 2022, Springer Science + Business Media

    Mr Dhananjay Dasiram Jade

  7. Identification of natural inhibitor against L1 β-lactamase present in Stenotrophomonas maltophilia

    Article • Journal of Molecular Modeling, October 2022, Springer Science + Business Media

    Mr Dhananjay Dasiram Jade

  8. Virtual high-throughput screening: potential inhibitors for the mycobacterial α-subunit of tryptophan synthase

    Article • Molecular Simulation, February 2022, Taylor & Francis

    Mr Dhananjay Dasiram Jade

  9. Potential inhibitors for FKBP51: an in silico study using virtual screening, molecular docking and molecular dynamics simulation

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

    Mr Dhananjay Dasiram Jade

  10. In silicoscreening of FDA approved drugs against ACE2 receptor: potential therapeutics to inhibit the entry of SARS-CoV-2 to human cells

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

    Mr Dhananjay Dasiram Jade

  11. In-silico screening for identification of potential inhibitors against SARS-CoV-2 transmembrane serine protease 2 (TMPRSS2)

    Article • European Journal of Pharmaceutical Sciences, July 2021, Elsevier

    Mr Dhananjay Dasiram Jade

  12. Virtual high throughput screening: Potential inhibitors for SARS-CoV-2 PLPRO and 3CLPRO proteases

    Article • European Journal of Pharmacology, June 2021, Elsevier

    Mr Dhananjay Dasiram Jade

  13. Molecular docking analysis of α-Topoisomerase II with δ-Carboline derivatives as potential anticancer agents

    Article • Bioinformation, January 2021, Biomedical Informatics

    Mr Dhananjay Dasiram Jade

  14. Identification of Therapeutic Drug Target of Stenotrophomonas maltophilia Through Subtractive Genomic Approach and in-silico Screening Based on 2D Similarity Filtration and Molecular Dynamic Simulation

    Article • Combinatorial Chemistry & High Throughput Screening, January 2021, Bentham Science Publishers

    Mr Dhananjay Dasiram Jade

  15. Structural and functional analysis of Chitinase-IV of Brassica juncea: molecular modeling and dynamic simulation study

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

    Mr Dhananjay Dasiram Jade

  16. Ligand-based pharmacophore modeling of TNF-α to design novel inhibitors using virtual screening and molecular dynamics

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

    Mr Dhananjay Dasiram Jade

  17. In-silico virtual screening for identification of potent inhibitor for L2-β-lactamase from Stenotrophomonas maltophilia through molecular docking, molecular dynamics analysis study

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

    Mr Dhananjay Dasiram Jade

  18. In-silico profiling and structural insights into the impact of nSNPs in the P. falciparum acetyl-CoA transporter gene to understand the mechanism of drug resistance in malaria

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

    Mr Dhananjay Dasiram Jade, Dr. Shakir Ali

  19. A consensus-guided approach yields a heat-stable alkane-producing enzyme and identifies residues promoting thermostability

    Article • Journal of Biological Chemistry, April 2018, American Society for Biochemistry & Molecular Biology (ASBMB)

    Mr Dhananjay Dasiram Jade

  20. A novel identification approach for discovery of 5-HydroxyTriptamine 2A antagonists: combination of 2D/3D similarity screening, molecular docking and molecular dynamics

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

    Dr. Dinesh Gupta, Mr Dhananjay Dasiram Jade

  21. Curcumin inhibits growth potential by G1 cell cycle arrest and induces apoptosis in p53-mutated COLO 320DM human colon adenocarcinoma cells

    Article • Biomedicine & Pharmacotherapy, February 2017, Elsevier

    Mr Dhananjay Dasiram Jade, Professor Nageswaran Sivalingam