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
收藏
页码：1405 / 1420
页数：16
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