Kumari M - Search Results

1

Virtual screening of natural compounds as inhibitors of EGFR 696-1022 T790M associated with non-small cell lung cancer.

Nand M, Maiti P, Pant R, Kumari M, Chandra S, Pande V. Nand M, et al. Among authors: kumari m. Bioinformation. 2016 Oct 10;12(6):311-317. doi: 10.6026/97320630012311. eCollection 2016. Bioinformation. 2016. PMID: 28293073 Free PMC article.

2

In silico prediction of anti-malarial hit molecules based on machine learning methods.

Kumari M, Chandra S. Kumari M, et al. Int J Comput Biol Drug Des. 2015;8(1):40-53. doi: 10.1504/IJCBDD.2015.068783. Epub 2015 Apr 13. Int J Comput Biol Drug Des. 2015. PMID: 25869318

3

3D QSAR, pharmacophore and molecular docking studies of known inhibitors and designing of novel inhibitors for M18 aspartyl aminopeptidase of Plasmodium falciparum.

Kumari M, Chandra S, Tiwari N, Subbarao N. Kumari M, et al. BMC Struct Biol. 2016 Aug 17;16:12. doi: 10.1186/s12900-016-0063-7. BMC Struct Biol. 2016. PMID: 27534744 Free PMC article.

4

High Throughput Virtual Screening to Identify Novel natural product Inhibitors for MethionyltRNA-Synthetase of Brucella melitensis.

Kumari M, Chandra S, Tiwari N, Subbarao N. Kumari M, et al. Bioinformation. 2017 Jan 20;13(1):8-16. doi: 10.6026/97320630013008. eCollection 2017. Bioinformation. 2017. PMID: 28479744 Free PMC article.

5

A genetic programming-based approach to identify potential inhibitors of serine protease of Mycobacterium tuberculosis.

Kumari M, Tiwari N, Subbarao N. Kumari M, et al. Future Med Chem. 2020 Jan;12(2):147-159. doi: 10.4155/fmc-2018-0560. Epub 2019 Nov 15. Future Med Chem. 2020. PMID: 32031024

6

Virtual screening to identify novel potential inhibitors for Glutamine synthetase of Mycobacterium tuberculosis.

Kumari M, Subbarao N. Kumari M, et al. J Biomol Struct Dyn. 2020 Oct;38(17):5062-5080. doi: 10.1080/07391102.2019.1695670. Epub 2019 Dec 6. J Biomol Struct Dyn. 2020. PMID: 31755360

7

Deep learning model for virtual screening of novel 3C-like protease enzyme inhibitors against SARS coronavirus diseases.

Kumari M, Subbarao N. Kumari M, et al. Comput Biol Med. 2021 May;132:104317. doi: 10.1016/j.compbiomed.2021.104317. Epub 2021 Mar 6. Comput Biol Med. 2021. PMID: 33721736 Free PMC article.

8

Identification of novel multitarget antitubercular inhibitors against mycobacterial peptidoglycan biosynthetic Mur enzymes by structure-based virtual screening.

Kumari M, Subbarao N. Kumari M, et al. J Biomol Struct Dyn. 2022 Nov;40(18):8185-8196. doi: 10.1080/07391102.2021.1908913. Epub 2021 Apr 7. J Biomol Struct Dyn. 2022. PMID: 33826470

9

Exploring the interaction mechanism between potential inhibitor and multi-target Mur enzymes of mycobacterium tuberculosis using molecular docking, molecular dynamics simulation, principal component analysis, free energy landscape, dynamic cross-correlation matrices, vector movements, and binding free energy calculation.

Kumari M, Singh R, Subbarao N. Kumari M, et al. J Biomol Struct Dyn. 2022;40(24):13497-13526. doi: 10.1080/07391102.2021.1989040. Epub 2021 Oct 18. J Biomol Struct Dyn. 2022. PMID: 34662260

10

Discovery of multi-target mur enzymes inhibitors with anti-mycobacterial activity through a Scaffold approach.

Kumari M, Waseem M, Subbarao N. Kumari M, et al. J Biomol Struct Dyn. 2023 Apr;41(7):2878-2899. doi: 10.1080/07391102.2022.2040593. Epub 2022 Feb 17. J Biomol Struct Dyn. 2023. PMID: 35174764

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