All Stories

  1. Computational and Experimental Binding Interactions of Drug and β-Cyclodextrin as a Drug- Delivery Vehicle

    Article • June 2021, Bentham Science Publishers

    Chandrabose Selvaraj

  2. Ion Channels as Therapeutic Targets for Type 1 Diabetes Mellitus

    Article • Current Drug Targets, January 2020, Bentham Science Publishers

    Dr Satyavani Kaliamurthi, Dr Gurudeeban Selvaraj, Chandrabose Selvaraj, Dr William C Cho, Dr. Dongqing Huang Wei

  3. Computational and Experimental Binding Mechanism of DNA-drug Interactions

    Article • Current Pharmaceutical Design, January 2019, Bentham Science Publishers

    Chandrabose Selvaraj

  4. Exploring the biology and structural architecture of sortase roleon Biofilm formation in gram positive pathogens

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

    Chandrabose Selvaraj

  5. Molecular dynamics simulations and applications in computational toxicology and nanotoxicology

    Article • Food and Chemical Toxicology, February 2018, Elsevier

    Chandrabose Selvaraj

  6. Protein Engineering Approaches in the Post-Genomic Era

    Article • Current Protein and Peptide Science, November 2017, Bentham Science Publishers

    Chandrabose Selvaraj

  7. Advantages of Structure-Based Drug Design Approaches in Neurological Disorders

    Article • Current Neuropharmacology, November 2017, Bentham Science Publishers

    Chandrabose Selvaraj

  8. Development of estrogen receptor beta binding prediction model using large sets of chemicals

    Article • Oncotarget, October 2017, Impact Journals, LLC

    Chandrabose Selvaraj

  9. Chemopreventive effect of saponin isolated from Gymnema sylevestre on prostate cancer through in silico and in vivo analysis

    Article • Medicinal Chemistry Research, April 2017, Springer Science + Business Media

    Chandrabose Selvaraj

  10. Modeling of macromolecular proteins in prophenoloxidase cascade through experimental and computational approaches

    Article • Biotechnology and Applied Biochemistry, November 2016, Wiley

    Chandrabose Selvaraj

  11. Phytoremediation of metal-contaminated soils by the hyperaccumulator canola ( Brassica napus L.) and the use of its biomass for ethanol production

    Article • Fuel, November 2016, Elsevier

    Chandrabose Selvaraj

  12. Structural insights into the binding mode of d-sorbitol with sorbitol dehydrogenase using QM-polarized ligand docking and molecular dynamics simulations

    Article • Biochemical Engineering Journal, October 2016, Elsevier

    Chandrabose Selvaraj

  13. Consensus Modeling for Prediction of Estrogenic Activity of Ingredients Commonly Used in Sunscreen Products

    Article • International Journal of Environmental Research and Public Health, September 2016, MDPI AG

    Chandrabose Selvaraj

  14. A highly efficient sorbitol dehydrogenase from Gluconobacter oxydans G624 and improvement of its stability through immobilization

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

    Chandrabose Selvaraj

  15. Potential of Immobilized Whole-Cell Methylocella tundrae as a Biocatalyst for Methanol Production from Methane

    Article • Journal of Microbiology and Biotechnology, July 2016, Korean Society for Microbiology and Biotechnology

    Chandrabose Selvaraj

  16. Enhancement of methanol production from synthetic gas mixture by Methylosinus sporium through covalent immobilization

    Article • Applied Energy, June 2016, Elsevier

    Chandrabose Selvaraj

  17. Understanding the importance of conservative hypothetical protein LdBPK_070020 in Leishmania donovani and its role in subsistence of the parasite

    Article • Archives of Biochemistry and Biophysics, April 2016, Elsevier

    Chandrabose Selvaraj

  18. In vitro and in silico studies on cell adhesion protein peroxinectin from Fenneropenaeus indicus and screening of heme blockers against activity

    Article • Journal of Molecular Recognition, December 2015, Wiley

    Chandrabose Selvaraj

  19. Structure-Based Virtual Screening and Biological Evaluation of a Calpain Inhibitor for Prevention of Selenite-Induced Cataractogenesis in an in Vitro System

    Article • Journal of Chemical Information and Modeling, August 2015, American Chemical Society (ACS)

    Chandrabose Selvaraj

  20. Molecular insights of protein contour recognition with ligand pharmacophoric sites through combinatorial library design and MD simulation in validating HTLV-1 PR inhibitors

    Article • Molecular BioSystems, January 2015, Royal Society of Chemistry

    Chandrabose Selvaraj

  21. Mechanistic insights of SrtA–LPXTG blockers targeting the transpeptidase mechanism in Streptococcus mutans

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

    Chandrabose Selvaraj

  22. Explicit Drug Re-positioning

    Article • January 2015, Elsevier

    Chandrabose Selvaraj

  23. Molecular cloning, relative expression, and structural analysis of pattern recognition molecule β-glucan binding protein from mangrove crabEpisesarma tetragonum

    Article • Biotechnology and Applied Biochemistry, December 2014, Wiley

    Chandrabose Selvaraj

  24. Molecular insights on analogs of HIV PR inhibitors toward HTLV-1 PR through QM/MM interactions and molecular dynamics studies: comparative structure analysis of wild and mutant HTLV-1 PR

    Article • Journal of Molecular Recognition, October 2014, Wiley

    Chandrabose Selvaraj

  25. In Silico and In Vitro Studies on the Protein-Protein Interactions between Brugia malayi Immunomodulatory Protein Calreticulin and Human C1q

    Article • PLoS ONE, September 2014, PLOS

    Chandrabose Selvaraj

  26. Examine the characterization of biofilm formation and inhibition by targeting SrtA mechanism in Bacillus subtilis: a combined experimental and theoretical study

    Article • Journal of Molecular Modeling, July 2014, Springer Science + Business Media

    Chandrabose Selvaraj

  27. Communication of γ Phage Lysin plyG Enzymes Binding toward SrtA for Inhibition ofBacillus Anthracis: Protein–Protein Interaction and Molecular Dynamics Study

    Article • Cell Communication & Adhesion, June 2014, Taylor & Francis

    Chandrabose Selvaraj

  28. Ligand-based pharmacophore modelling and screening of DNA minor groove binders targetingStaphylococcus aureus

    Article • Journal of Molecular Recognition, April 2014, Wiley

    Chandrabose Selvaraj

  29. Molecular modeling studies and comparative analysis on structurally similar HTLV and HIV protease using HIV-PR inhibitors

    Article • Journal of Receptors and Signal Transduction, April 2014, Taylor & Francis

    Chandrabose Selvaraj

  30. Interaction investigations of crustacean β-GBP recognition toward pathogenic microbial cell membrane and stimulate upon prophenoloxidase activation

    Article • Journal of Molecular Recognition, February 2014, Wiley

    Chandrabose Selvaraj

  31. Virtual screening of LPXTG competitive SrtA inhibitors targeting signal transduction mechanism inBacillus anthracis: a combined experimental and theoretical study

    Article • Journal of Receptors and Signal Transduction, February 2014, Taylor & Francis

    Chandrabose Selvaraj

  32. In silicoandin vitrostudies of cinnamaldehyde and their derivatives against LuxS inStreptococcus pyogenes: effects on biofilm and virulence genes

    Article • Journal of Molecular Recognition, January 2014, Wiley

    Chandrabose Selvaraj

  33. Structural elucidation of SrtA enzyme in Enterococcus faecalis: an emphasis on screening of potential inhibitors against the biofilm formation

    Article • Molecular BioSystems, January 2014, Royal Society of Chemistry

    Chandrabose Selvaraj

  34. A three-dimensional chemical phase pharmacophore mapping, QSAR modelling and electronic feature analysis of benzofuran salicylic acid derivatives as LYP inhibitors

    Article • SAR and QSAR in Environmental Research, December 2013, Taylor & Francis

    Chandrabose Selvaraj

  35. Investigations on the Interactions of λPhage-Derived Peptides Against the SrtA Mechanism in Bacillus anthracis

    Article • Applied Biochemistry and Biotechnology, November 2013, Springer Science + Business Media

    Chandrabose Selvaraj

  36. Virtual screening based on pharmacophoric features of known calpain inhibitors to identify potent inhibitors of calpain

    Article • Medicinal Chemistry Research, October 2013, Springer Science + Business Media

    Chandrabose Selvaraj

  37. Exploration of protein–protein interaction effects on α-2-macroglobulin in an inhibition of serine protease through gene expression and molecular simulations studies

    Article • Journal of Biomolecular Structure and Dynamics, October 2013, Taylor & Francis

    Chandrabose Selvaraj

  38. Validation of potential inhibitors for SrtA againstBacillus anthracisby combined approach of ligand-based and molecular dynamics simulation

    Article • Journal of Biomolecular Structure and Dynamics, July 2013, Taylor & Francis

    Chandrabose Selvaraj

  39. Identification of potential HIV-1 integrase strand transfer inhibitors:In silicovirtual screening and QM/MM docking studies

    Article • SAR and QSAR in Environmental Research, July 2013, Taylor & Francis

    Chandrabose Selvaraj

  40. Exploration of the binding of DNA binding ligands toStaphylococcalDNA through QM/MM docking and molecular dynamics simulation

    Article • Journal of Biomolecular Structure and Dynamics, June 2013, Taylor & Francis

    Chandrabose Selvaraj

  41. Shape and pharmacophore-based virtual screening to identify potential cytochrome P450 sterol 14α-demethylase inhibitors

    Article • Journal of Receptors and Signal Transduction, May 2013, Taylor & Francis

    Chandrabose Selvaraj

  42. Exploration of fluoroquinolone resistance inStreptococcus pyogenes: comparative structure analysis of wild-type and mutant DNA gyrase

    Article • Journal of Molecular Recognition, April 2013, Wiley

    Chandrabose Selvaraj

  43. 195In silicostudy on HIV-PRIs substructures to terminate proteolytic activity in HTLV

    Article • Journal of Biomolecular Structure and Dynamics, January 2013, Taylor & Francis

    Chandrabose Selvaraj

  44. Exploring the selectivity of a ligand complex with CDK2/CDK1: a molecular dynamics simulation approach

    Article • Journal of Molecular Recognition, September 2012, Wiley

    Chandrabose Selvaraj

  45. Comparative structural analysis of two proteins belonging to quorum sensing system inVibrio cholerae

    Article • Journal of Biomolecular Structure and Dynamics, September 2012, Taylor & Francis

    Prof. Durg Vijai Singh, Chandrabose Selvaraj

  46. Homology modeling, active site prediction, and targeting the anti hypertension activity through molecular docking on endothelin – B receptor domain

    Article • Bioinformation, January 2012, Biomedical Informatics

    Chandrabose Selvaraj, jayasimharayalu daddam

  47. Molecular docking, QPLD, and ADME prediction studies on HIV-1 integrase leads

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

    Chandrabose Selvaraj

  48. Targeting multidrug resistant Mycobacterium tuberculosis htra2 with identical chemical entities of fluoroquinolones

    Article • Indian Journal of Pharmaceutical Sciences, January 2012, OMICS Publishing Group

    Chandrabose Selvaraj

  49. In silico screening of indinavir-based compounds targeting proteolytic activity in HIV PR: binding pocket fit approach

    Article • Medicinal Chemistry Research, December 2011, Springer Science + Business Media

    Chandrabose Selvaraj

  50. Pharmacophore modelling and atom-based 3D-QSAR studies onN-methyl pyrimidones as HIV-1 integrase inhibitors

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, June 2011, Taylor & Francis

    Chandrabose Selvaraj

  51. A database for the predicted pharmacophoric features of medicinal compounds

    Article • Bioinformation, May 2011, Biomedical Informatics

    Chandrabose Selvaraj