27 results on '"Jeyakanthan, Jeyaraman"'
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2. Harnessing allosteric inhibition: prioritizing LIMK2 inhibitors for targeted cancer therapy through pharmacophore-based virtual screening and essential molecular dynamics
3. Structural and functional characterization of 6-phosphogluconate dehydrogenase in Plasmodium falciparum (3D7) and identification of its potent inhibitors
4. Combination of bendamustine-azacitidine against Syk target of breast cancer: an in silico study
5. In silico evaluation of isatin-based derivatives with RNA-dependent RNA polymerase of the novel coronavirus SARS-CoV-2
6. Identifying dual leucine zipper kinase (DLK) inhibitors using e-pharamacophore screening and molecular docking
7. Identification of Pak1 inhibitors using water thermodynamic analysis
8. Computational identification of potential lead molecules targeting rho receptor of Neisseria gonorrhoeae
9. Atomistic simulation on flavonoids derivatives as potential inhibitors of bacterial gyrase of Staphylococcus aureus
10. Molecular evolution, binding site interpretation and functional divergence of aspartate semialdehyde dehydrogenase
11. Discovery of potent Camkk1 kinase inhibitors through e-pharmacophore and molecular screening approaches
12. In silicoapproach of naringin as potent phosphatase and tensin homolog (PTEN) protein agonist against prostate cancer
13. Phyto-Engineered Gold Nanoparticles (AuNPs) with Potential Antibacterial, Antioxidant, and Wound Healing Activities Under in vitro and in vivo Conditions
14. Computational investigation on Andrographis paniculata phytochemicals to evaluate their potency against SARS-CoV-2 in comparison to known antiviral compounds in drug trials
15. Evolutionary significance and functional characterization of streptomycin adenylyltransferase from Serratia marcescens
16. Identification of potential inhibitors for AIRS from de novo purine biosynthesis pathway through molecular modeling studies – a computational approach
17. Ligand-based pharmacophore mapping and virtual screening for identification of potential discoidin domain receptor 1 inhibitors
18. Conformational changes in glutaminyl-tRNA synthetases upon binding of the substrates and analogs using molecular docking and molecular dynamics approaches
19. Design of novel PhMTNA inhibitors, targeting neurological disorder through homology modeling, molecular docking, and dynamics approaches
20. Molecular dynamics and quantum chemistry-based approaches to identify isoform selective HDAC2 inhibitor – a novel target to prevent Alzheimer’s disease
21. Identification of anti-filarial leads against aspartate semialdehyde dehydrogenase of Wolbachia endosymbiont of Brugia malayi: combined molecular docking and molecular dynamics approaches
22. Molecular modeling, dynamics studies and density functional theory approaches to identify potential inhibitors of SIRT4 protein from Homo sapiens : a novel target for the treatment of type 2 diabetes
23. Role of sequence evolution and conformational dynamics in the substrate specificity and oligomerization mode of thymidylate kinases
24. Binding mode exploration of LuxR-thiazolidinedione analogues, e-pharmacophore-based virtual screening in the designing of LuxR inhibitors and its biological evaluation
25. Structural insights on identification of potential lead compounds targeting WbpP inVibrio vulnificusthrough structure-based approaches
26. Mechanical insights of oxythiamine compound as potent inhibitor for human transketolase-like protein 1 (TKTL1 protein)
27. Mechanistic insights into the dual inhibition strategy for checking Leishmaniasis
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