Khan RJ - Search Results

1

Identifying the natural compound Catechin from tropical mangrove plants as a potential lead candidate against 3CL^pro from SARS-CoV-2: An integrated in silico approach.

Jha RK, Khan RJ, Parthiban A, Singh E, Jain M, Amera GM, Singh RP, Ramachandran P, Ramachandran R, Sachithanandam V, Muthukumaran J, Singh AK. Jha RK, et al. Among authors: khan rj. J Biomol Struct Dyn. 2022;40(24):13392-13411. doi: 10.1080/07391102.2021.1988710. Epub 2021 Oct 13. J Biomol Struct Dyn. 2022. PMID: 34644249

2

Screening of promising molecules against MurG as drug target in multi-drug-resistant-Acinetobacter baumannii - insights from comparative protein modeling, molecular docking and molecular dynamics simulation.

Amera GM, Khan RJ, Pathak A, Jha RK, Muthukumaran J, Singh AK. Amera GM, et al. Among authors: khan rj. J Biomol Struct Dyn. 2020 Oct;38(17):5230-5252. doi: 10.1080/07391102.2019.1700167. Epub 2019 Dec 12. J Biomol Struct Dyn. 2020. PMID: 31787065

3

Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2'-O-ribose methyltransferase.

Khan RJ, Jha RK, Amera GM, Jain M, Singh E, Pathak A, Singh RP, Muthukumaran J, Singh AK. Khan RJ, et al. J Biomol Struct Dyn. 2021 May;39(8):2679-2692. doi: 10.1080/07391102.2020.1753577. Epub 2020 Apr 20. J Biomol Struct Dyn. 2021. PMID: 32266873 Free PMC article.

4

Computer aided ligand based screening for identification of promising molecules against enzymes involved in peptidoglycan biosynthetic pathway from Acinetobacter baumannii.

Amera GM, Khan RJ, Pathak A, Jha RK, Muthukumaran J, Singh AK. Amera GM, et al. Among authors: khan rj. Microb Pathog. 2020 Oct;147:104205. doi: 10.1016/j.micpath.2020.104205. Epub 2020 Apr 28. Microb Pathog. 2020. PMID: 32353580

5

A Comprehensive In Silico Study Towards Understanding the Inhibitory Mechanism of Lactoperoxidase by Dapsone and Propofol.

Khan RJ, Jha RK, Amera GM, Muthukumaran J, Singh RP, Singh AK. Khan RJ, et al. Curr Comput Aided Drug Des. 2021;17(4):550-559. doi: 10.2174/1573409916666200628104134. Curr Comput Aided Drug Des. 2021. PMID: 32598266

6

Prioritization of Mur family drug targets against A. baumannii and identification of their homologous proteins through molecular phylogeny, primary sequence, and structural analysis.

Amera GM, Khan RJ, Jha RK, Pathak A, Muthukumaran J, Singh AK. Amera GM, et al. Among authors: khan rj. J Genet Eng Biotechnol. 2020 Jul 28;18(1):33. doi: 10.1186/s43141-020-00048-4. J Genet Eng Biotechnol. 2020. PMID: 32725318 Free PMC article.

7

Structure based drug designing and discovery of promising lead molecules against UDP-N-acetylenolpyruvoylglucosamine reductase (MurB): A potential drug target in multi-drug resistant Acinetobacter baumannii.

Amera GM, Khan RJ, Pathak A, Jha RK, Jain M, Muthukumaran J, Singh AK. Amera GM, et al. Among authors: khan rj. J Mol Graph Model. 2020 Nov;100:107675. doi: 10.1016/j.jmgm.2020.107675. Epub 2020 Jul 17. J Mol Graph Model. 2020. PMID: 32731183

8

Identification of promising antiviral drug candidates against non-structural protein 15 (NSP15) from SARS-CoV-2: an in silico assisted drug-repurposing study.

Khan RJ, Jha RK, Singh E, Jain M, Amera GM, Singh RP, Muthukumaran J, Singh AK. Khan RJ, et al. J Biomol Struct Dyn. 2022 Jan;40(1):438-448. doi: 10.1080/07391102.2020.1814870. Epub 2020 Sep 4. J Biomol Struct Dyn. 2022. PMID: 32885740

9

Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular dynamics simulations and MM/PBSA analysis.

Jha RK, Khan RJ, Amera GM, Singh E, Pathak A, Jain M, Muthukumaran J, Singh AK. Jha RK, et al. Among authors: khan rj. J Mol Model. 2020 Oct 17;26(11):304. doi: 10.1007/s00894-020-04557-4. J Mol Model. 2020. PMID: 33068184

10

A comprehensive review on promising anti-viral therapeutic candidates identified against main protease from SARS-CoV-2 through various computational methods.

Singh E, Khan RJ, Jha RK, Amera GM, Jain M, Singh RP, Muthukumaran J, Singh AK. Singh E, et al. Among authors: khan rj. J Genet Eng Biotechnol. 2020 Nov 3;18(1):69. doi: 10.1186/s43141-020-00085-z. J Genet Eng Biotechnol. 2020. PMID: 33141358 Free PMC article. Review.

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