Kumar R - Search Results

1

N-glycosylation induced changes in tau protein dynamics reveal its role in tau misfolding and aggregation: A microsecond long molecular dynamics study.

Mathew AT, Baidya ATK, Das B, Devi B, Kumar R. Mathew AT, et al. Among authors: kumar r. Proteins. 2023 Feb;91(2):147-160. doi: 10.1002/prot.26417. Epub 2022 Sep 13. Proteins. 2023. PMID: 36029032

2

Structure-based virtual screening and molecular dynamics simulation for the identification of sphingosine kinase-2 inhibitors as potential analgesics.

Akhilesh, Baidya ATK, Uniyal A, Das B, Kumar R, Tiwari V. Akhilesh, et al. Among authors: kumar r. J Biomol Struct Dyn. 2022;40(23):12472-12490. doi: 10.1080/07391102.2021.1971559. Epub 2021 Sep 14. J Biomol Struct Dyn. 2022. PMID: 34519252

3

Urea-thiazole/benzothiazole hybrids with a triazole linker: synthesis, antimicrobial potential, pharmacokinetic profile and in silico mechanistic studies.

Poonia N, Lal K, Kumar A, Kumar A, Sahu S, Baidya ATK, Kumar R. Poonia N, et al. Among authors: kumar r, kumar a. Mol Divers. 2022 Oct;26(5):2375-2391. doi: 10.1007/s11030-021-10336-x. Epub 2021 Oct 20. Mol Divers. 2022. PMID: 34671895

4

Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.

Das B, Baidya ATK, Mathew AT, Yadav AK, Kumar R. Das B, et al. Among authors: kumar r. Bioorg Med Chem. 2022 Feb 15;56:116614. doi: 10.1016/j.bmc.2022.116614. Epub 2022 Jan 10. Bioorg Med Chem. 2022. PMID: 35033884 Review.

5

Deep learning tools for advancing drug discovery and development.

Nag S, Baidya ATK, Mandal A, Mathew AT, Das B, Devi B, Kumar R. Nag S, et al. Among authors: kumar r. 3 Biotech. 2022 May;12(5):110. doi: 10.1007/s13205-022-03165-8. Epub 2022 Apr 9. 3 Biotech. 2022. PMID: 35433167 Free PMC article. Review.

6

Allosteric Binding Sites of Aβ Peptides on the Acetylcholine Synthesizing Enzyme ChAT as Deduced by In Silico Molecular Modeling.

Baidya AT, Kumar A, Kumar R, Darreh-Shori T. Baidya AT, et al. Among authors: kumar r, kumar a. Int J Mol Sci. 2022 May 28;23(11):6073. doi: 10.3390/ijms23116073. Int J Mol Sci. 2022. PMID: 35682752 Free PMC article.

7

Structure-based virtual screening for identification of potential non-steroidal LXR modulators against neurodegenerative conditions.

Deshwal S, Baidya AT, Kumar R, Sandhir R. Deshwal S, et al. Among authors: kumar r. J Steroid Biochem Mol Biol. 2022 Oct;223:106150. doi: 10.1016/j.jsbmb.2022.106150. Epub 2022 Jul 3. J Steroid Biochem Mol Biol. 2022. PMID: 35787453

8

Exploration of Novel Lichen Compounds as Inhibitors of SARS-CoV-2 Mpro: Ligand-Based Design, Molecular Dynamics, and ADMET Analyses.

Gupta A, Sahu N, Singh AP, Singh VK, Singh SC, Upadhye VJ, Mathew AT, Kumar R, Sinha RP. Gupta A, et al. Among authors: kumar r. Appl Biochem Biotechnol. 2022 Dec;194(12):6386-6406. doi: 10.1007/s12010-022-04103-3. Epub 2022 Aug 3. Appl Biochem Biotechnol. 2022. PMID: 35921031 Free PMC article.

9

Free Fatty Acid Receptors (FFARs): Emerging Therapeutic Targets for the Management of Diabetes Mellitus.

Loona DPS, Das B, Kaur R, Kumar R, Yadav AK. Loona DPS, et al. Among authors: kumar r. Curr Med Chem. 2023;30(30):3404-3440. doi: 10.2174/0929867329666220927113614. Curr Med Chem. 2023. PMID: 36173072 Review.

10

Molecular characterization of glutor-GLUT interaction and prediction of glutor's drug-likeness: implications for its utility as an antineoplastic agent.

Temre MK, Devi B, Singh VK, Goel Y, Yadav S, Pandey SK, Kumar R, Kumar A, Singh SM. Temre MK, et al. Among authors: kumar r, kumar a. J Biomol Struct Dyn. 2023 Dec;41(20):11262-11273. doi: 10.1080/07391102.2022.2161010. Epub 2022 Dec 26. J Biomol Struct Dyn. 2023. PMID: 36571488

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