Natural Product Laboratory, Department of Chemistry, The University of Burdwan, Burdwan-713104, West Bengal, India.
Department of Chemistry, The University of Texas Rio Grande Valley, 1201 West University Drive, Edinburg, TX-78539, United States.
Curr Cancer Drug Targets. 2019;19(9):707-715. doi: 10.2174/1568009619666190111111937.
Abrus precatorius Linn. (Kunch in Bengali) is widely spread in tropical and sub-tropical regions. It is a typical plant species which is well-known simultaneously as folk medicine and for its toxicity.
Phytoceutical investigation of the white variety seeds of Abrus precatorius Linn.
Traditional extraction, separation, isolation, and purification processes were followed. The structure was elucidated by various spectral analyses and the solid-state structure of this indolealkaloid was determined by X-ray crystallographic analysis. Docking interactions of L-abrine had been studied against ten major proteins, responsible for various types of cancers. In silico studies were done by Schrödinger Maestro, AutoDock4, PyMOL and AutoDock Vina. The protein structures were downloaded from Protein Data Bank. Sulforhodamine B (SRB) colorimetric assay was used for in vitro anticancer evaluation against four human cancer cell lines.
An indole-containing unusual amino acid alkaloid had been isolated from the white variety seeds of Abrus precatorius Linn. In silico docking studies demonstrated significant antiproliferative activity against four human cancer cell lines.
The solid-state zwitterion structure of the indole-containing alkaloid (α-methylamino- β-indolepropionic acid, L-abrine) has been confirmed for the first time by X-ray crystallography. Highly promising in silico and in vitro results indicate that L-abrine may find its space in future anticancer drug discovery research.
鸡骨常山（Kunch 在孟加拉语中）广泛分布于热带和亚热带地区。它是一种典型的植物物种，同时作为民间药物和毒性而闻名。
对鸡骨常山白色品种的种子进行植物药研究。
采用传统的提取、分离、分离和纯化工艺。通过各种光谱分析阐明了结构，并通过 X 射线晶体学分析确定了该吲哚生物碱的固体结构。研究了 L-abrine 与负责各种类型癌症的十种主要蛋白质的对接相互作用。通过 Schrödinger Maestro、AutoDock4、PyMOL 和 AutoDock Vina 进行了计算机模拟研究。从蛋白质数据库中下载了蛋白质结构。使用磺基罗丹明 B（SRB）比色法对四种人癌细胞系进行体外抗癌评价。
从鸡骨常山白色品种的种子中分离出一种含有吲哚的不寻常氨基酸生物碱。计算机模拟对接研究表明，该生物碱对四种人癌细胞系具有显著的增殖抑制活性。
首次通过 X 射线晶体学证实了含吲哚生物碱（α-甲基氨基-β-吲哚丙酸，L-abrine）的固体两性离子结构。有前途的计算机模拟和体外结果表明，L-abrine 可能在未来的抗癌药物发现研究中找到自己的位置。
