464 results on '"Jeyakanthan, Jeyaraman"'
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2. Computational discovery of AKT serine/threonine kinase 1 inhibitors through shape screening for rheumatoid arthritis intervention
3. Designing a novel drug–drug conjugate as a prodrug for breast cancer therapy: in silico insights
4. In silico approaches for the identification of potential allergens among hypothetical proteins from Alternaria alternata and its functional annotation
5. Editorial: Interaction and dynamics of biological molecules
6. Triphenylphosphonium conjugated gold nanotriangles impact Pi3K/AKT pathway in breast cancer cells: a photodynamic therapy approach
7. Unveiling the intricacies of allosteric regulation in aspartate kinase from the Wolbachia endosymbiont of Brugia Malayi: Mechanistic and therapeutic insights
8. Design, synthesis, in silico, and pharmacological evaluation of novel quinoline derivatives containing substituted piperazine moieties as potential anti-breast cancer agents
9. Quercetin-induced apoptosis in HepG2 cells and identification of quercetin derivatives as potent inhibitors for Caspase-3 through computational methods
10. Investigation of protein-ligand binding motions through protein conformational morphing and clustering of cytochrome bc1-aa3 super complex
11. Designing of potent anti-diabetic molecules by targeting SIK2 using computational approaches
12. Deciphering the conformational transitions of LIMK2 active and inactive states to ponder specific druggable states through microsecond scale molecular dynamics simulation
13. Designing specific inhibitors against dihydrofolate reductase of W. bancrofti towards drug discovery for lymphatic filariasis
14. An Integrative Approach to Explore Potent Therapeutic Protein Targets in Multidrug-resistant Nosocomial Pathogen Acinetobacter Baumannii
15. Computational exploration of molecular flexibility and interaction of meropenem analogs with the active site of oxacillinase-23 in Acinetobacter baumannii
16. WaterMap and Molecular Dynamic Simulation-Guided Discovery of Potential PAK1 Inhibitors Using Repurposing Approaches
17. Contributors
18. Methods and applications of machine learning in structure-based drug discovery
19. Synergistic Effects of Hydration Sites in Protein Stability: A Theoretical Water Thermodynamics Approach
20. Exploring the antimicrobial potential of 4,5,7-trihydroxyflavanone (THF) against vancomycin-resistant Enterococcus gallinarum infections: in vitro and in silico investigations
21. Harnessing allosteric inhibition: prioritizing LIMK2 inhibitors for targeted cancer therapy through pharmacophore-based virtual screening and essential molecular dynamics
22. Characterization of putative transcriptional regulator (PH0140) and its distal homologue
23. Modelling studies reveal the importance of the C-terminal inter motif loop of NSP1 as a promising target site for drug discovery and screening of potential phytochemicals to combat SARS-CoV-2
24. Structural and functional insights of STAT2-NS5 interaction for the identification of NS5 antagonist – An approach for restoring interferon signaling
25. Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis
26. Impact of Surface Charge-Tailored Gold Nanorods for Selective Targeting of Mitochondria in Breast Cancer Cells Using Photodynamic Therapy
27. List of Contributors
28. 3D Structural Determination of Macromolecules Using X-ray Crystallography Methods
29. In silico Screening of Natural Phytocompounds Towards Identification of Potential Lead Compounds to Treat COVID-19
30. Purification, crystallization, and X‐ray diffraction analysis of succinyl‐diaminopimelate desuccinylase from Wolbachia endosymbiont of Brugia malayi
31. Ultra selective label free electrochemical detection of cancer prognostic p53-antibody at DNA functionalized graphene
32. Structural and functional characterization of 6-phosphogluconate dehydrogenase in Plasmodium falciparum(3D7) and identification of its potent inhibitors
33. Insecticide-resistance mechanism of Plutella xylostella (L.) associated with amino acid substitutions in acetylcholinesterase-1: A molecular docking and molecular dynamics investigation
34. Structural and functional characterization of 6-phosphogluconate dehydrogenase in Plasmodium falciparum (3D7) and identification of its potent inhibitors.
35. pH-Dependent conformational stability of SpeB from Thermus thermophilus HB8: insights from molecular dynamics simulation.
36. Combination of bendamustine-azacitidine against Syk target of breast cancer: an in silico study.
37. Structural and functional characterization of 6-phosphogluconate dehydrogenase in Plasmodium falciparum (3D7) and identification of its potent inhibitors
38. Evaluation of Antibacterial and Anticancer Potential of Polyaniline-Bimetal Nanocomposites Synthesized from Chemical Reduction Method
39. Searching for target-specific and multi-targeting organics for Covid-19 in the Drugbank database with a double scoring approach
40. Exploring the druggability of oxidized low-density lipoprotein (ox-LDL) receptor, LOX-1, a proatherogenic drug target involved in atherosclerosis
41. HTNpedia: A Knowledge Base for Hypertension Research
42. Pharmacophore, atom-based 3D-QSAR modeling and binding mode analysis of QcrB inhibitors as potential tuberculosis agents
43. Computational identification of potent inhibitors for Streptomycin 3″-adenylyltransferase of Serratia marcescens
44. Discovery of potent inhibitors targeting Vibrio harveyi LuxR through shape and e-pharmacophore based virtual screening and its biological evaluation
45. Identification of potential inhibitors for oncogenic target of dihydroorotate dehydrogenase using in silico approaches
46. Structure-based virtual screening and biological evaluation of LuxT inhibitors for targeting quorum sensing through an in vitro biofilm formation
47. Exploring genetic targets of psoriasis using genome wide association studies (GWAS) for drug repurposing
48. Structural Modeling of Drosophila melanogaster Gut Cytochrome P450s and Docking Comparison of Fruit Fly Gut and Human Cytochrome P450s
49. Investigation of translation initiation factor through protein–protein interactions and molecular dynamics approaches
50. Computational investigation of the increased virulence and pathogenesis of SARS-CoV-2 lineage B.1.1.7
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