Isolation, Solid-state Structure Determination, In Silico and In Vitro Anticancer Evaluation of an Indole Amino Acid Alkaloid L-Abrine.
Abrus precatorius
alkaloid
amino acid
ayurveda
cancer
cytotoxicity
zwitterions.
Journal
Current cancer drug targets
ISSN: 1873-5576
Titre abrégé: Curr Cancer Drug Targets
Pays: Netherlands
ID NLM: 101094211
Informations de publication
Date de publication:
2019
2019
Historique:
received:
28
05
2018
revised:
14
12
2018
accepted:
25
12
2018
pubmed:
15
1
2019
medline:
22
9
2020
entrez:
15
1
2019
Statut:
ppublish
Résumé
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.
Sections du résumé
BACKGROUND
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.
OBJECTIVE
Phytoceutical investigation of the white variety seeds of Abrus precatorius Linn.
METHODS
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.
RESULTS
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.
CONCLUSION
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.
Identifiants
pubmed: 30636612
pii: CCDT-EPUB-95693
doi: 10.2174/1568009619666190111111937
doi:
Substances chimiques
Indole Alkaloids
0
abrine
P57TWL22IX
Types de publication
Evaluation Study
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
707-715Informations de copyright
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