Singh AK - Search Results

1

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. Among authors: singh rp, singh ak. Curr Comput Aided Drug Des. 2021;17(4):550-559. doi: 10.2174/1573409916666200628104134. Curr Comput Aided Drug Des. 2021. PMID: 32598266

2

Lactoperoxidase: structural insights into the function,ligand binding and inhibition.

Sharma S, Singh AK, Kaushik S, Sinha M, Singh RP, Sharma P, Sirohi H, Kaur P, Singh TP. Sharma S, et al. Among authors: singh rp, singh ak, singh tp. Int J Biochem Mol Biol. 2013 Sep 13;4(3):108-28. Int J Biochem Mol Biol. 2013. PMID: 24049667 Free PMC article. Review.

3

Dual binding mode of antithyroid drug methimazole to mammalian heme peroxidases - structural determination of the lactoperoxidase-methimazole complex at 1.97 Å resolution.

Singh RP, Singh A, Sirohi HV, Singh AK, Kaur P, Sharma S, Singh TP. Singh RP, et al. Among authors: singh ak, singh tp, singh a. FEBS Open Bio. 2016 Jun 14;6(7):640-50. doi: 10.1002/2211-5463.12051. eCollection 2016 Jul. FEBS Open Bio. 2016. PMID: 27398304 Free PMC article.

4

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: singh ak. 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

5

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. Among authors: singh ak. 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

6

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.

7

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: singh ak. Microb Pathog. 2020 Oct;147:104205. doi: 10.1016/j.micpath.2020.104205. Epub 2020 Apr 28. Microb Pathog. 2020. PMID: 32353580

8

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. Among authors: singh ak. 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

9

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: singh ak. 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.

10

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: singh ak. 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

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