Singh N - Search Results

1

Kinase signaling as a drug target modality for regulation of vascular hyperpermeability: A case for ARDS therapy development.

Kayyali US, Ghandakly E, Singh N, Villoutreix BO, Tsaioun K. Kayyali US, et al. Among authors: singh n. Drug Discov Today. 2022 May;27(5):1448-1456. doi: 10.1016/j.drudis.2022.01.008. Epub 2022 Jan 24. Drug Discov Today. 2022. PMID: 35085784 Review.

2

Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1).

Singh N, Villoutreix BO, Ecker GF. Singh N, et al. Sci Rep. 2019 Oct 21;9(1):15061. doi: 10.1038/s41598-019-51455-8. Sci Rep. 2019. PMID: 31636293 Free PMC article.

3

Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace.

Singh N, Chaput L, Villoutreix BO. Singh N, et al. Brief Bioinform. 2021 Mar 22;22(2):1790-1818. doi: 10.1093/bib/bbaa034. Brief Bioinform. 2021. PMID: 32187356 Free PMC article. Review.

4

FastTargetPred: a program enabling the fast prediction of putative protein targets for input chemical databases.

Chaput L, Guillaume V, Singh N, Deprez B, Villoutreix BO. Chaput L, et al. Among authors: singh n. Bioinformatics. 2020 Aug 15;36(14):4225-4226. doi: 10.1093/bioinformatics/btaa494. Bioinformatics. 2020. PMID: 32399567

5

Structure-based drug repositioning over the human TMPRSS2 protease domain: search for chemical probes able to repress SARS-CoV-2 Spike protein cleavages.

Singh N, Decroly E, Khatib AM, Villoutreix BO. Singh N, et al. Eur J Pharm Sci. 2020 Oct 1;153:105495. doi: 10.1016/j.ejps.2020.105495. Epub 2020 Jul 28. Eur J Pharm Sci. 2020. PMID: 32730844 Free PMC article.

6

Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein-Protein Interfaces.

Singh N, Chaput L, Villoutreix BO. Singh N, et al. J Chem Inf Model. 2020 Aug 24;60(8):3910-3934. doi: 10.1021/acs.jcim.0c00545. Epub 2020 Aug 11. J Chem Inf Model. 2020. PMID: 32786511

7

Demystifying the Molecular Basis of Pyrazoloquinolinones Recognition at the Extracellular α1+/β3- Interface of the GABA_A Receptor by Molecular Modeling.

Singh N, Villoutreix BO. Singh N, et al. Front Pharmacol. 2020 Sep 11;11:561834. doi: 10.3389/fphar.2020.561834. eCollection 2020. Front Pharmacol. 2020. PMID: 33041802 Free PMC article.

8

Resources and computational strategies to advance small molecule SARS-CoV-2 discovery: Lessons from the pandemic and preparing for future health crises.

Singh N, Villoutreix BO. Singh N, et al. Comput Struct Biotechnol J. 2021;19:2537-2548. doi: 10.1016/j.csbj.2021.04.059. Epub 2021 Apr 26. Comput Struct Biotechnol J. 2021. PMID: 33936562 Free PMC article. Review.

9

The first laminin G-like domain of protein S is essential for binding and activation of Tyro3 receptor and intracellular signalling.

Al Kafri N, Ahnström J, Teraz-Orosz A, Chaput L, Singh N, Villoutreix BO, Hafizi S. Al Kafri N, et al. Among authors: singh n. Biochem Biophys Rep. 2022 Apr 28;30:101263. doi: 10.1016/j.bbrep.2022.101263. eCollection 2022 Jul. Biochem Biophys Rep. 2022. PMID: 35518197 Free PMC article.

10

A Hybrid Docking and Machine Learning Approach to Enhance the Performance of Virtual Screening Carried out on Protein-Protein Interfaces.

Singh N, Villoutreix BO. Singh N, et al. Int J Mol Sci. 2022 Nov 18;23(22):14364. doi: 10.3390/ijms232214364. Int J Mol Sci. 2022. PMID: 36430841 Free PMC article.

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