Synthesis, biological evaluation and in silico studies of tetrazole-heterocycle hybrids

被引：27
|
作者：
Sribalan, Rajendran [1 ]
Banuppriya, Govindharasu [1 ]
Kirubavathi, Maruthan [1 ]
Padmini, Vediappen [1 ]
机构：
[1] Madurai Kamaraj Univ, Sch Chem, Dept Organ Chem, Madurai 625021, Tamil Nadu, India
来源：
JOURNAL OF MOLECULAR STRUCTURE | 2019年 / 1175卷
关键词：
Hybrid tetrazole; Antimicrobial; Anti-inflammatory; Molecular docking; Molecular orbitals; ANTIBACTERIAL ACTIVITY; MOLECULAR DOCKING; DERIVATIVES;
D O I：
10.1016/j.molstruc.2018.07.114
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The series of three different chemical entities of tetrazole-heterocycle hybrids such as thiophene, pyridine and quinoline tetrazoles were synthesized and characterized for the purpose to develop new lead molecules. Biological evaluations such as in vitro antimicrobial and anti-inflammatory activities were studied. Further, the in silico studies such as Molecular docking (with COX-1, COX-2 and 3TTZ), OFT calculations, the Molecular electrostatic potential (MEP) and ACME were investigated. (C) 2018 Elsevier B.V. All rights reserved.
引用
收藏
页码：577 / 586
页数：10
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