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1. Identification and biophysical characterization of potential phytochemical inhibitors of carboxyl/choline esterase from Helicoverpa armigera for advancing integrated pest management strategies

6. In-silico approach to identify novel potent inhibitors against GraR of S. aureus

8. Multi-target direct-acting SARS-CoV-2 antivirals against the nucleotide-binding pockets of virus-specific proteins

9. Structural insights at acidic <scp>pH</scp> of dye‐decolorizing peroxidase from Bacillus subtilis

10. A novel function for globulin in sequestering plant hormone: Crystal structure of Wrightia tinctoria 11S globulin in complex with auxin

11. Structure of Chorismate Mutase-like Domain of DAHPS from Bacillus subtilis Complexed with Novel Inhibitor Reveals Conformational Plasticity of Active Site

14. Biochemical characterization and structure-based in silico screening of potent inhibitor molecules against the 1 cys peroxiredoxin of bacterioferritin comigratory protein family from Candidatus Liberibacter asiaticus

15. Biochemical and structural basis for Moraxella catarrhalis enoyl-acyl carrier protein reductase (FabI) inhibition by triclosan and estradiol

16. Alphavirus antivirals targeting RNA‐dependent RNA polymerase domain of nsP4 divulged using surface plasmon resonance

17. In Silico Guided Drug Repurposing to Combat SARS-CoV-2 by Targeting Mpro, the Key Virus Specific Protease

22. Chimeric chikungunya virus-like particles with surface exposed SARS-CoV-2 RBD elicits potent immunogenic responses in mice

23. Crystal structure and activity profiling of deubiquitinating inhibitors-bound to SARS-CoV-2 papain like protease revealed new allosteric sites for antiviral therapies

24. A molecular docking and dynamic approach to screen inhibitors against ZnuA1 ofCandidatusLiberibacter asiaticus

25. Elucidation of antiviral mechanisms of natural therapeutic molecules Herbacetin and Caffeic acid phenethyl ester against chikungunya and dengue virus

26. Crystal structure and molecular characterization of NADP

27. Role of ACE2 receptor and the landscape of treatment options from convalescent plasma therapy to the drug repurposing in COVID-19

28. Quantum Mechanics/Molecular Mechanics Studies on the Catalytic Mechanism of a Novel Esterase (FmtA) of

29. Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase

30. Biophysical and modeling-based approach for the identification of inhibitors against DOHH from Leishmania donovani

31. Discovery of anti-SARS-CoV-2 molecules using structure-assisted repurposing approach targeting N-protein

32. Structural Insights into Dihydroxylation of Terephthalate, a Product of Polyethylene Terephthalate Degradation

34. Contributors

35. In silico identification of potential phytochemical inhibitors targeting farnesyl diphosphate synthase of cotton bollworm (Helicoverpa armigera)

36. Biochemical and molecular insights on the bioactivity and binding interactions of Bacillus australimaris NJB19 L-asparaginase

37. Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni

39. Characterization of recombinant pumpkin 2S albumin and mutation studies to unravel potential DNA/RNA binding site

40. Structure of dye-decolorizing peroxidase from Bacillus subtilis in complex with veratryl alcohol

41. Antiviral strategies targeting host factors and mechanisms obliging +ssRNA viral pathogens

42. Structural characterization and in-silico analysis of Momordica charantia 7S globulin for stability and ACE inhibition

43. Molecular docking and dynamic approach to virtual screen inhibitors against Esbp of Candidatus Liberibacter asiaticus

44. Characterization of phthalate reductase from Ralstonia eutropha CH34 and in silico study of phthalate dioxygenase and phthalate reductase interaction

45. Crystal structures of a putative periplasmic cystine‐binding protein fromCandidatusLiberibacter asiaticus: insights into an adapted mechanism of ligand binding

46. In-silico functional and structural annotation of hypothetical protein from Klebsiella pneumonia: A potential drug target

49. Multifunctional inhibitors of SARS-CoV-2 by MM/PBSA, essential dynamics, and molecular dynamic investigations

50. Chikungunya virus titration, detection and diagnosis using N-Acetylglucosamine (GlcNAc) specific lectin based virus capture assay

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