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Chemical synthesis and in silico molecular modeling of novel pyrrolyl benzohydrazide derivatives: Their biological evaluation against enoyl ACP reductase (InhA) and Mycobacterium tuberculosis.

Abstract：

:In efforts to develop new antitubercular agents, we report here the synthesis of a series of novel pyrrole hydrazine derivatives. The molecules were evaluated against inhibitors of InhA, which is one of the key enzymes involved in type II fatty acid biosynthetic pathway of the mycobacterial cell wall as well as inhibitors of Mycobacterium tuberculosis H37Rv. The binding mode of compounds at the active site of enoyl-ACP reductase was explored using the surflex-docking method. The model suggests one or two H-bonding interactions between the compounds and the InhA enzyme. Some compounds exhibited good activities against InhA in addition to promising activities against M. tuberculosis.

journal_name

Bioorg Chem

journal_title

Bioorganic chemistry

authors

Joshi SD,More UA,Dixit SR,Balmi SV,Kulkarni BG,Ullagaddi G,Lherbet C,Aminabhavi TM

doi

10.1016/j.bioorg.2017.09.008

subject

Has Abstract

pub_date

2017-12-01 00:00:00

pages

181-200

eissn

0045-2068

issn

1090-2120

pii

S0045-2068(17)30470-4

journal_volume

75

pub_type

杂志文章

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