Synthesis, characterization, in silico studies and in vitro biological evaluation of isoniazid-hydrazone complexes

被引：15
|
作者：
Rajan, M. P. Ramya [1 ,2 ]
Rathikha, Ramaswamy [2 ]
Nithyabalaji, Rajendran [1 ]
Sribalan, Rajendran [3 ]
机构：
[1] SRM Valliammai Engn Coll, Dept Phys, Kattankulathur, Tamil Nadu, India
[2] Presidency Coll Autonomous, PG & Res Dept Phys, Chennai 600005, Tamil Nadu, India
[3] Biochem Innovat Lab, Tindivanam, Tamil Nadu, India
来源：
JOURNAL OF MOLECULAR STRUCTURE | 2020年 / 1216卷
关键词：
Isoniazid; Anti-inflammatory; Antidiabetic; Molecular docking; DFT studies; MYCOBACTERIUM-TUBERCULOSIS; ANALGESIC ACTIVITY; MOLECULAR DOCKING; ALPHA-AMYLASE; RELEVANT; CURCUMIN; DESIGN;
D O I：
10.1016/j.molstruc.2020.128297
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：
Isoniazid-hydrazone complexes (IHCs) were synthesized and thoroughly characterized by FT-IR, H-1 NMR and C-13 NMR spectroscopic techniques. The anti-in fl ammatory and antidiabetic activities were tested for the IHCs using protein denaturation methods and the a-amylase inhibitory method. The molecular modeling studies for IHCs were investigated and their molecular parameters were calculated using Density Functional Theory methods. The IHCs showed lower band gap and higher electrophilicity index values. Further, molecular docking studies were investigated against the a-amylase enzyme to compare the experimental results. The isoniazid hydrazone-salicylic acid complex (3c) showed fi ve hydrogen bonding interactions with amino acid residues of the alpha-amylase enzyme (1HNY). (c) 2020 Elsevier B.V. All rights reserved.
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页数：9
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