Dehury B - Search Results

1

Machine learning and classical MD simulation to identify inhibitors against the P37 envelope protein of monkeypox virus.

Rout M, Dey S, Mishra S, Panda S, Singh MK, Sinha R, Dehury B, Pati S. Rout M, et al. Among authors: dehury b. J Biomol Struct Dyn. 2024 May;42(8):3935-3948. doi: 10.1080/07391102.2023.2216290. Epub 2023 May 23. J Biomol Struct Dyn. 2024. PMID: 37221882

2

Exploiting the potential of natural polyphenols as antivirals against monkeypox envelope protein F13 using machine learning and all-atoms MD simulations.

Rout M, Mishra S, Dey S, Singh MK, Dehury B, Pati S. Rout M, et al. Among authors: dehury b. Comput Biol Med. 2023 Aug;162:107116. doi: 10.1016/j.compbiomed.2023.107116. Epub 2023 Jun 4. Comput Biol Med. 2023. PMID: 37302336 Free PMC article.

3

Lipid and cholesterols modulate the dynamics of SARS-CoV-2 viral ion channel ORF3a and its pathogenic variants.

Rout M, Mishra S, Panda S, Dehury B, Pati S. Rout M, et al. Among authors: dehury b. Int J Biol Macromol. 2024 Jan;254(Pt 3):127986. doi: 10.1016/j.ijbiomac.2023.127986. Epub 2023 Nov 8. Int J Biol Macromol. 2024. PMID: 37944718

4

Inhibition potential of natural flavonoids against selected omicron (B.1.19) mutations in the spike receptor binding domain of SARS-CoV-2: a molecular modeling approach.

Kumar A, Dutt M, Dehury B, Sganzerla Martinez G, Swan CL, Kelvin AA, Richardson CD, Kelvin DJ. Kumar A, et al. Among authors: dehury b. J Biomol Struct Dyn. 2025 Feb;43(2):1068-1082. doi: 10.1080/07391102.2023.2291165. Epub 2023 Dec 19. J Biomol Struct Dyn. 2025. PMID: 38115191 Free PMC article.

5

Spectroscopic insights with molecular docking and molecular dynamic simulation studies of anticancer drug 5-Fluorouracil targeting human pyruvate kinase m2.

Priyadarshinee M, Dehury B, Mishra S, Jena C, Patra M, Mishra NK, Samanta L, Mallick BC. Priyadarshinee M, et al. Among authors: dehury b. J Biomol Struct Dyn. 2024 Feb 12:1-13. doi: 10.1080/07391102.2024.2313158. Online ahead of print. J Biomol Struct Dyn. 2024. PMID: 38345048

6

Classical molecular dynamics simulation identifies catechingallate as a promising antiviral polyphenol against MPOX palmitoylated surface protein.

Mishra S, Rout M, Singh MK, Dehury B, Pati S. Mishra S, et al. Among authors: dehury b. Comput Biol Chem. 2024 Jun;110:108070. doi: 10.1016/j.compbiolchem.2024.108070. Epub 2024 Apr 12. Comput Biol Chem. 2024. PMID: 38678726

7

Diet-induced induction of hepatic serine/threonine kinase STK38 triggers proinflammation and hepatic lipid accumulation.

Rawat P, Thakur S, Dogra S, Jaswal K, Dehury B, Mondal P. Rawat P, et al. Among authors: dehury b. J Biol Chem. 2023 May;299(5):104678. doi: 10.1016/j.jbc.2023.104678. Epub 2023 Apr 5. J Biol Chem. 2023. PMID: 37028764 Free PMC article.

8

A review on structure-function mechanism and signaling pathway of serine/threonine protein PIM kinases as a therapeutic target.

Rout AK, Dehury B, Parida SN, Rout SS, Jena R, Kaushik N, Kaushik NK, Pradhan SK, Sahoo CR, Singh AK, Arya M, Behera BK. Rout AK, et al. Among authors: dehury b. Int J Biol Macromol. 2024 Jun;270(Pt 1):132030. doi: 10.1016/j.ijbiomac.2024.132030. Epub 2024 May 3. Int J Biol Macromol. 2024. PMID: 38704069 Review.

9

NMR insights into β-Lactamase activity of UVI31+ Protein from Chlamydomonas reinhardtii.

Rout AK, Gautam S, Kumar Mishra V, Bopardikar M, Dehury B, Singh H. Rout AK, et al. Among authors: dehury b. J Magn Reson. 2024 May;362:107689. doi: 10.1016/j.jmr.2024.107689. Epub 2024 Apr 24. J Magn Reson. 2024. PMID: 38677224

10

Formulation of next-generation polyvalent vaccine candidates against three important poxviruses by targeting DNA-dependent RNA polymerase using an integrated immunoinformatics and molecular modeling approach.

Kumar A, Dutt M, Dehury B, Martinez GS, Singh KP, Kelvin DJ. Kumar A, et al. Among authors: dehury b. J Infect Public Health. 2024 Jul;17(7):102470. doi: 10.1016/j.jiph.2024.102470. Epub 2024 Jun 7. J Infect Public Health. 2024. PMID: 38865776 Free article.

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