Open AccessIn Silico Investigation on the Beneficial Effects of Medicinal Plants on Diabetes and Obesity: Molecular Docking, Molecular Dynamic Simulations, and ADMET Studies
Author(s) -
Halima Hajji,
Kamal Tabti,
Fatima En-nahli,
Soukaina Bouamrane,
Tahar Lakhlifi,
Mohammed Aziz Ajana,
Mohammed Bouachrine
Publication year - 2021
Publication title -
biointerface research in applied chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.216
H-Index - 11
ISSN - 2069-5837
DOI - 10.33263/briac125.69336949
Subject(s) - in silico , obesity , docking (animal) , computational biology , quercetin , medicinal plants , pharmacology , molecular dynamics , chemistry , bioinformatics , medicine , traditional medicine , biology , biochemistry , computational chemistry , gene , veterinary medicine , antioxidant
Currently, obesity leads to health problems, including type 2 diabetes. These two diseases are closely linked. Despite the spectacular development of the synthesis of active ingredients and chemotherapy, we have not ceased to be interested in medicinal and aromatic plants, their effects, indications, and methods of use. Thus, we see that the number of herbal medicine or plant substances is growing in a very important way. The present study was carried out on the chemical structures of 16 plants, whose existence could help reduce obesity and its complications. Through molecular docking methods, ADMET, and molecular dynamics. Due to the interaction, and good stability, we have found that quercetin may have the obesity treatment.