Molecular docking analysis of mTOR protein kinase with chromatographically characterized compounds from Clerodendrum inerme L. leaves extract

被引：3
|
作者：
Arumugam, Dhanalakshmi [1 ]
Ganesan, Sasireka [2 ]
Marikkannu, Karthikeyan Kalimuthu Ayyakkalai [1 ]
机构：
[1] NMSS Vellaichamy Nadar Coll, Dept Zool, Madurai 625019, Tamil Nadu, India
[2] Sri Meenakshi Govt Arts Coll Women, Dept Zool, Madurai 625002, Tamil Nadu, India
来源：
BIOINFORMATION | 2022年 / 18卷 / 04期
关键词：
Molecular docking; chromatographic analysis; mTOR protein kinase; Clerodendrum inerme L; INHIBITORS;
D O I：
10.6026/97320630018381
中图分类号：
Q [生物科学];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
The mTOR protein is known to be linked with cancer. Therefore, it is of interest to document the molecular docking analysis of mTOR protein kinase with chromatographically characterized compounds from Clerodendrum inerme L. leaves extract. The GC-MS analysis suggested that, totally 25 bioactive compounds were present in the extract of Clerodendrum inerme. Molecular docking analysis show that the bioactive compounds such as Triethoxysilanol, Piperazine dihydrochloridehydrate, 2,4(1H,3H)-Pyrimidinedione, 5-methyl and 4',7-Dihydroxyflavanone showed good glide score and glide energy within the acceptable and permissible limits of ADME properties for further consideration in drug discovery.
引用
收藏
页码：381 / 386
页数：6
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