503 results on '"Jeyakanthan, Jeyaraman"'
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2. Repurposing FDA-approved drugs for combating tigecycline resistance in Acinetobacter baumannii: in silico screening against BaeR protein
3. Computational discovery of AKT serine/threonine kinase 1 inhibitors through shape screening for rheumatoid arthritis intervention
4. Designing a novel drug–drug conjugate as a prodrug for breast cancer therapy: in silico insights
5. Whole genome sequencing characterization and comparative genome analysis of Acinetobacter baumannii JJAB01: A comprehensive insights on antimicrobial resistance and virulence genotype
6. Unveiling novel type 1 inhibitors for targeting LIM kinase 2 (LIMK2) for cancer therapeutics: An integrative pharmacoinformatics approach
7. In silico approaches for the identification of potential allergens among hypothetical proteins from Alternaria alternata and its functional annotation
8. Designing potential lead compounds targeting aminoglycoside N (6′)-acetyltransferase in Serratia marcescens: A drug discovery strategy
9. Editorial: Interaction and dynamics of biological molecules
10. Unveiling the intricacies of allosteric regulation in aspartate kinase from the Wolbachia endosymbiont of Brugia Malayi: Mechanistic and therapeutic insights
11. Triphenylphosphonium conjugated gold nanotriangles impact Pi3K/AKT pathway in breast cancer cells: a photodynamic therapy approach
12. Design, synthesis, in silico, and pharmacological evaluation of novel quinoline derivatives containing substituted piperazine moieties as potential anti-breast cancer agents
13. Quercetin-induced apoptosis in HepG2 cells and identification of quercetin derivatives as potent inhibitors for Caspase-3 through computational methods
14. Investigation of protein-ligand binding motions through protein conformational morphing and clustering of cytochrome bc1-aa3 super complex
15. Designing of potent anti-diabetic molecules by targeting SIK2 using computational approaches
16. Deciphering the conformational transitions of LIMK2 active and inactive states to ponder specific druggable states through microsecond scale molecular dynamics simulation
17. Designing specific inhibitors against dihydrofolate reductase of W. bancrofti towards drug discovery for lymphatic filariasis
18. An Integrative Approach to Explore Potent Therapeutic Protein Targets in Multidrug-resistant Nosocomial Pathogen Acinetobacter Baumannii
19. Exploring the antimicrobial potential of 4,5,7-trihydroxyflavanone (THF) against vancomycin-resistant Enterococcus gallinarum infections: in vitro and in silico investigations.
20. Harnessing allosteric inhibition: prioritizing LIMK2 inhibitors for targeted cancer therapy through pharmacophore-based virtual screening and essential molecular dynamics.
21. Computational exploration of molecular flexibility and interaction of meropenem analogs with the active site of oxacillinase-23 in Acinetobacter baumannii
22. WaterMap and Molecular Dynamic Simulation-Guided Discovery of Potential PAK1 Inhibitors Using Repurposing Approaches
23. Characterization of putative transcriptional regulator (PH0140) and its distal homologue
24. 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
25. Contributors
26. Methods and applications of machine learning in structure-based drug discovery
27. Synergistic Effects of Hydration Sites in Protein Stability: A Theoretical Water Thermodynamics Approach
28. Identification of potential drug target in malarial disease using molecular docking analysis
29. Structural and functional characterization of oligomeric states of proteins in RecFOR pathway
30. Structural and functional insights of STAT2-NS5 interaction for the identification of NS5 antagonist – An approach for restoring interferon signaling
31. Comparative sequence, structure and functional analysis of Skp protein, a molecular chaperone among members of Pasteurellaceae and its homologues in Gram-negative bacteria
32. Ultra selective label free electrochemical detection of cancer prognostic p53-antibody at DNA functionalized graphene
33. Insights into product release dynamics through structural analyses of thymidylate kinase
34. List of Contributors
35. 3D Structural Determination of Macromolecules Using X-ray Crystallography Methods
36. Exploring the antimicrobial potential of 4,5,7-trihydroxyflavanone (THF) against vancomycin-resistant Enterococcus gallinarum infections: in vitro and in silico investigations
37. Harnessing allosteric inhibition: prioritizing LIMK2 inhibitors for targeted cancer therapy through pharmacophore-based virtual screening and essential molecular dynamics
38. In silico Screening of Natural Phytocompounds Towards Identification of Potential Lead Compounds to Treat COVID-19
39. Insecticide-resistance mechanism of Plutella xylostella (L.) associated with amino acid substitutions in acetylcholinesterase-1: A molecular docking and molecular dynamics investigation
40. Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
41. Evaluation of Antibacterial and Anticancer Potential of Polyaniline-Bimetal Nanocomposites Synthesized from Chemical Reduction Method
42. Purification, crystallization, and X‐ray diffraction analysis of succinyl‐diaminopimelate desuccinylase from Wolbachia endosymbiont of Brugia malayi
43. Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis
44. Impact of Surface Charge-Tailored Gold Nanorods for Selective Targeting of Mitochondria in Breast Cancer Cells Using Photodynamic Therapy
45. Green synthesis of silver nanoparticles using Lippia nodiflora aerial extract and evaluation of their antioxidant, antibacterial and cytotoxic effects
46. Crystal structures of an archaeal thymidylate kinase from Sulfolobus tokodaii provide insights into the role of a conserved active site Arginine residue
47. Searching for target-specific and multi-targeting organics for Covid-19 in the Drugbank database with a double scoring approach
48. Computational identification of potent inhibitors for Streptomycin 3″-adenylyltransferase of Serratia marcescens
49. Discovery of potent inhibitors targeting Vibrio harveyi LuxR through shape and e-pharmacophore based virtual screening and its biological evaluation
50. Identification of potential inhibitors for oncogenic target of dihydroorotate dehydrogenase using in silico approaches
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