Jain M - Search Results

1

Detailed Experimental and In Silico Investigation of Indomethacin Binding with Human Serum Albumin Considering Primary and Secondary Binding Sites.

Ali MS, Muthukumaran J, Jain M, Tariq M, Al-Lohedan HA, Al-Sanea ASS. Ali MS, et al. Among authors: jain m. Molecules. 2023 Mar 27;28(7):2979. doi: 10.3390/molecules28072979. Molecules. 2023. PMID: 37049745 Free PMC article.

2

Structural and functional characterization of chitin binding lectin from Datura stramonium: insights from phylogenetic analysis, protein structure prediction, molecular docking and molecular dynamics simulation.

Jain M, Muthukumaran J, Singh AK. Jain M, et al. J Biomol Struct Dyn. 2021 Mar;39(5):1698-1716. doi: 10.1080/07391102.2020.1737234. Epub 2020 Mar 11. J Biomol Struct Dyn. 2021. PMID: 32116131

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. Among authors: jain m. 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

Comparative structural and functional analysis of STL and SLL, chitin-binding lectins from Solanum spp.

Jain M, Muthukumaran J, Singh AK. Jain M, et al. J Biomol Struct Dyn. 2021 Aug;39(13):4907-4922. doi: 10.1080/07391102.2020.1781693. Epub 2020 Jun 22. J Biomol Struct Dyn. 2021. PMID: 32568615

5

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: jain m. 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

6

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. Among authors: jain m. 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

7

Biological evaluation of gallic acid and quercetin derived from Ceriops tagal: insights from extensive in vitro and in silico studies.

Sachithanandam V, Parthiban A, Lalitha P, Muthukumaran J, Jain M, Elumalai D, Jayabal K, Sridhar R, Ramachandran P, Ramachandran R. Sachithanandam V, et al. Among authors: jain m. J Biomol Struct Dyn. 2022 Mar;40(4):1490-1502. doi: 10.1080/07391102.2020.1828173. Epub 2020 Sep 30. J Biomol Struct Dyn. 2022. PMID: 32996435

8

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: jain m. J Mol Model. 2020 Oct 17;26(11):304. doi: 10.1007/s00894-020-04557-4. J Mol Model. 2020. PMID: 33068184

9

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: jain m. 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.

10

A comprehensive in silico and in vitro studies on quinizarin: a promising phytochemical derived from Rhizophora mucronata Lam.

Sachithanandam V, Lalitha P, Parthiban A, Muthukumaran J, Jain M, Misra R, Mageswaran T, Sridhar R, Purvaja R, Ramesh R. Sachithanandam V, et al. Among authors: jain m. J Biomol Struct Dyn. 2022 Oct;40(16):7218-7229. doi: 10.1080/07391102.2021.1894983. Epub 2021 Mar 8. J Biomol Struct Dyn. 2022. PMID: 33682626

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