Repurposing Based Identification of Novel Inhibitors against MmpS5-MmpL5 Efflux Pump of <i>Mycobacterium smegmatis</i>: A Combined In Silico and In Vitro Study.

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作者： Mohd,Shahbaaz ^[1] ; Dmitry A,Maslov ^[2] ; Aleksey A,Vatlin ^[2] ; Valery N,Danilenko ^[3] ; Maria,Grishina ^[2] ; Alan,Christoffels ^[4]

作者单位： South African Medical Research Council Bioinformatics Unit, South African National Bioinformatics Institute, University of the Western Cape, Private Bag X17, Bellville 7535, Cape Town, South Africa. ^[1] Laboratory of Bacterial Genetics, Vavilov Institute of General Genetics Russian Academy of Sciences, 119333 Moscow, Russia. ^[2] Institute of Ecology, Peoples' Friendship University of Russia (RUDN University), 117198 Moscow, Russia. ^[3] Laboratory of Computational Modeling of Drugs, Higher Medical and Biological School, South Ural State University, P. Lenina 76, 454080 Chelyabinsk, Russia. ^[4] Africa Centres for Disease Control and Prevention, African Union Headquarters, Addis Ababa W21K19, Ethiopia. ^[5]

关键词 MmpS5-MmpL5 efflux pumps QSAR drug resistance molecular dynamics simulations tuberculosis virtual screening

DOI 10.3390/biomedicines10020333

PMID 35203542

发布时间 2022-03-01

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Biomedicines

2022年10卷2期

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Repurposing Based Identification of Novel Inhibitors against MmpS5-MmpL5 Efflux Pump of <i>Mycobacterium smegmatis</i>: A Combined In Silico and In Vitro Study.

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Repurposing Based Identification of Novel Inhibitors against MmpS5-MmpL5 Efflux Pump of <i>Mycobacterium smegmatis</i>: A Combined In Silico and In Vitro Study.

Biomedicines

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Biomedicines

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