Open AccessBiological activity of kencur (Kaempferia galanga L.) against SARS-CoV-2 main protease
Author(s) -
Alyaa Farrah Dibha,
Sri Wahyuningsih,
Viol Dhea Kharisma,
Arif Nur Muhammad Ansori,
Muhammad Hermawan Widyananda,
Arli Aditya Parikesit,
Максим Ребезов,
Yulia Matrosova,
S I Artyukhova,
Nadezhda Kenijz,
Maria Kiseleva,
Vikash Jakhmola,
Rahadian Zainul
Publication year - 2022
Publication title -
international journal of health sciences (ijhs) (en línea)
Language(s) - English
Resource type - Journals
eISSN - 2550-6978
pISSN - 2550-696X
DOI - 10.53730/ijhs.v6ns1.4779
Subject(s) - protease , docking (animal) , virtual screening , covid-19 , autodock , computational biology , chemistry , pharmacology , drug discovery , biology , biochemistry , medicine , enzyme , in silico , infectious disease (medical specialty) , veterinary medicine , disease , pathology , gene
COVID-19 is a syndrome affecting pulmonary function but rather in serious conditions leads to death. Kencur (Kaempferia galanga L.) is a type of rhizome plant in Indonesia that is used as an herbal medicine called Jamu because it is believed to be able to cure various types of diseases. One of which is for anti-virus. The goal of this study was to see how effective the compounds in kencur are against COVID-19 with a molecular docking strategy. Kencur biological activities were obtained from the library and the design of the Acute Respiratory Syndrome Main protease (Mpro) has been gained from the protein data bank website. In addition, the biological activities in kencur were examined utilizing Lipinski's five-point concept was used to evaluate their substance molecular characteristics. Molecular docking analysis was performed with the PyRx Virtual Screening Tool software. The PyRx program was used for molecular docking simulation. While, the Discovery Studio Visualizer program was used to visualize the interaction between SARS-CoV-2 (Mpro) and the pharmacologically active metabolites in kencur. The docking evaluation on three antiviral substances revealed that Quercetin had the lowest binding energy when bound with Mpro and thus had the greatest potential as a viral inhibitor.