Singh E - Search Results

1

Exploring mammalian heme peroxidases: A comprehensive review on the structure and function of myeloperoxidase, lactoperoxidase, eosinophil peroxidase, thyroid peroxidase and peroxidasin.

Singh E, Gupta A, Singh P, Jain M, Muthukumaran J, Singh RP, Singh AK. Singh E, et al. Arch Biochem Biophys. 2024 Nov;761:110155. doi: 10.1016/j.abb.2024.110155. Epub 2024 Sep 13. Arch Biochem Biophys. 2024. PMID: 39278306 Review.

2

In silico strategies for identifying therapeutic candidates against Acinetobacter baumannii: spotlight on the UDP-N-acetylmuramoyl-L-alanine-D-glutamate:meso-diaminopimelate ligase (MurE).

Kumar A, Singh P, Singh E, Jain M, Muthukumaran J, Singh AK. Kumar A, et al. Among authors: singh ak, singh e, singh p. J Biomol Struct Dyn. 2024 Mar 14:1-15. doi: 10.1080/07391102.2024.2325661. Online ahead of print. J Biomol Struct Dyn. 2024. PMID: 38486459

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: singh rp, singh ak, singh e. 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

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: singh rp, singh ak, singh e. 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

5

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

6

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: singh rp, singh ak. 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.

7

An extensive computational study to identify potential inhibitors of Acyl-homoserine-lactone synthase from Acinetobacter baumannii (strain AYE).

Jha RK, Jabeer Khan R, Singh E, Kumar A, Jain M, Muthukumaran J, Singh AK. Jha RK, et al. Among authors: singh ak, singh e. J Mol Graph Model. 2022 Jul;114:108168. doi: 10.1016/j.jmgm.2022.108168. Epub 2022 Mar 19. J Mol Graph Model. 2022. PMID: 35339024

8

A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2.

Singh E, Jha RK, Khan RJ, Kumar A, Jain M, Muthukumaran J, Singh AK. Singh E, et al. Among authors: singh ak. Comput Biol Chem. 2022 Aug;99:107721. doi: 10.1016/j.compbiolchem.2022.107721. Epub 2022 Jun 28. Comput Biol Chem. 2022. PMID: 35835027 Free PMC article.

9

Droperidol as a potential inhibitor of acyl-homoserine lactone synthase from A. baumannii: insights from virtual screening, MD simulations and MM/PBSA calculations.

Jha RK, Singh E, Khan RJ, Kumar A, Jain M, Muthukumaran J, Singh AK. Jha RK, et al. Among authors: singh ak, singh e. Mol Divers. 2023 Oct;27(5):1979-1999. doi: 10.1007/s11030-022-10533-2. Epub 2022 Oct 3. Mol Divers. 2023. PMID: 36190592

10

Structural and functional characterization of 1-deoxy-D-xylulose-5-phosphate synthase (DXS) from Acinetobacter baumannii: identification of promising lead molecules from virtual screening, molecular docking and molecular dynamics simulations.

Parveez Zia M, Singh E, Jain M, Muthukumaran J, Singh AK. Parveez Zia M, et al. Among authors: singh ak, singh e. J Biomol Struct Dyn. 2023;41(21):11598-11611. doi: 10.1080/07391102.2023.2174598. Epub 2023 Feb 8. J Biomol Struct Dyn. 2023. PMID: 36752319

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