Antiviral Investigation of Cassia alata L. bioactive compounds for SARS-CoV-2 Mpro: In Silico approach Turista Dora Dayu Rahma1, Kharisma Viol Dhea2,3, Ansori Arif Nur Muhammad4,5, Kardanova Karina Ahmedovna6, Aslanov Islam Ruslanovich6, Dotkulov Ibragim Muhadinovich6, Apshev Azret Zamirovich6, Dokshukin Amir Albertovich6, Rebezov Maksim7,8, Jakhmola Vikash5, Md. Ullah Emdad9, Zainul Rahadian10,11,* 1Department of Biology Education, Faculty of Teacher Training and Education, Mulawarman University, Samarinda, Indonesia 2Department of Biology, Faculty of Science and Technology, Universitas Airlangga, Surabaya, Indonesia 3Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, Indonesia 4Postgraduate School, Universitas Airlangga, Surabaya, Indonesia 5Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, India 6Medical Faculty, Kabardino-Balkarian State University, Nalchik, Russian Federation 7Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, Moscow, Russian Federation 8Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, Russian Federation 9Department of Chemistry, Mississippi State University, Mississippi, United States 10Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia 11Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMP-BIOTICS), Universitas Negeri Padang, Padang, Indonesia *Corresponding Author E-mail: rahadianzmsiphd@fmipa.unp.ac.id
Online Published on 07 February, 2024. Abstract SARS-CoV-2 has caused a prolonged COVID-19 pandemic since the end of December 2019 and is still ongoing now. Bioactive compounds can be used as drugs to treat infectious diseases. This study aims to determine C. alata as a drug candidate for COVID-19 through its inhibitory activity to Mpro SARS-CoV-2 in silico. Cassia alata bioactive compounds have the potential to be used as a candidate for anti-SARS-CoV-2 supported by the result of drug-likeness, ADMET, pharmacokinetics, binding affinity, and antiviral activity prediction. Further research needs to be carried out to make C. alata a drug for COVID-19. Top Keywords SARS-CoV-2, Mpro, Cassia alata, Bioactive compounds. Top |