Synthesis and molecular docking studies of a new series of bipyrazol-yl-thiazol-ylidene-hydrazinecarbothioamide derivatives as potential antitubercular agents

被引：20

作者：

Mogle, Pratima P. ^{[1
]}

Meshram, Rohan J. ^{[2
]}

Hese, Shrikant V. ^{[1
]}

Kamble, Rahul D. ^{[1
]}

Kamble, Sonali S. ^{[2
]}

Gacche, Rajesh N. ^{[2
]}

Dawane, Bhaskar S. ^{[1
]}

机构：

[1] Swami Ramanand Teerth Marathwada Univ, Sch Chem Sci, Nanded 431606, MS, India

[2] Swami Ramanand Teerth Marathwada Univ, Sch Life Sci, Nanded, MS, India

来源：

MEDCHEMCOMM | 2016年 / 7卷 / 07期

关键词：

CYCLOPROPANATED MYCOLIC ACIDS; CATION-PI INTERACTIONS; UNIVERSAL FORCE-FIELD; MYCOBACTERIUM-TUBERCULOSIS; BIOLOGICAL EVALUATION; GREEN SYNTHESIS; ANALOGS; IDENTIFICATION; BIOSYNTHESIS; INHIBITORS;

D O I：

10.1039/c6md00085a

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Various substituted 2-(2-(5-(3/4-substituted phenyl)-4-hydroxy-3'-(3/4-substituted phenyl)-1'-phenyl-1H,1'H-[3,4'-bipyrazol]-1-yl)thiazol-4(5H)ylidene) hydrazinecarbothioamide derivatives have been synthesized in good yields by an efficient method. The synthesized compounds (6a-r) were evaluated for their in vitro antitubercular activity against the Mycobacterium tuberculosis (MTCC 300) strain. Compounds 6o (MIC-3.90 mu g mL(-1)), 6p (MIC-3.90 mu g mL(-1)), and 6q (MIC-7.81 mu g mL(-1)), exhibited significant activity against Mycobacterium tuberculosis. The molecular docking studies revealed an interesting binding profile with very high receptor affinity.

引用

页码：1405 / 1420

页数：16

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