Biological activity of kencur (Kaempferia galanga L.) against SARS-CoV-2 main protease: In silico study

Alyaa Farrah Dibha; Sri Wahyuningsih; Viol Dhea Kharisma; Arif Nur Muhammad Ansori; Muhammad Hermawan Widyananda; Arli Aditya Parikesit; Maksim Rebezov; Yulia Matrosova; Svetlana Artyukhova; Nadezhda Kenijz; Maria Kiseleva; Vikash Jakhmola; Rahadian Zainul

doi:10.53730/ijhs.v6nS1.4779

Authors

Alyaa Farrah Dibha Department of Chemistry, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, Indonesia
Sri Wahyuningsih Faculty of Biology, Gajah Mada University, Yogyakarta, Indonesia
Viol Dhea Kharisma Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, Indonesia
Arif Nur Muhammad Ansori Doctoral Program of Veterinary Science, Faculty of Veterinary Medicine, Universitas Airlangga, Surabaya, Indonesia
Muhammad Hermawan Widyananda Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, Indonesia and Department of Biology, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, Indonesia
Arli Aditya Parikesit Department of Bioinformatics, School of Life Sciences, Indonesia International Institute for Life Sciences, Jakarta, Indonesia
Maksim Rebezov Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, Russian Federation and Department of Scientific Research, K.G. Razumovsky Moscow State University of Technologies and Management (The First Cossack University), Moscow, Russian Federation
Yulia Matrosova Institute of Veterinary Medicine, South Ural State Agrarian University, Troitsk, Russian Federation
Svetlana Artyukhova Faculty of Microbiology and Biotechnology, Puschino State Institute of Natural Sciences, Moscow, Russian Federation
Nadezhda Kenijz Department of Technology of Storage and Processing of Livestock Products, Kuban State Agrarian University, Krasnodar, Russian Federation
Maria Kiseleva Institute of Veterinary Medicine, South Ural State Agrarian University, Troitsk, Russian Federation
Vikash Jakhmola Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, India
Rahadian Zainul
rahadianzmsiphd@fmipa.unp.ac.id
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia

Keywords:

Bioinformatics, COVID-19, Kaempferia galanga L., Kencur, SARS-CoV-2

Abstract

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 (M^pro) 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 (M^pro) 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.

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