Dapsone With Amino Acids And Docking With Multiple Proteins As a Covid-19 Treatment: A Theoretical Study

Year 2024, , 44 - 53, 19.09.2024

Aswan Najah Al-deen Abed Omar Mohammed Yahya Ammar Ibrahim

https://doi.org/10.33435/tcandtc.1300292

Abstract

The deadly illness COVID-19 claims a significant number of lives every day. The dapsone molecule has been proposed as a potential antiviral for the treatment of COVID-19 illnesses based on molecular docking simulations in this study. Additionally, look into how mono- and di-amino acid molecules react with dapsone. To investigate molecule geometries, electronic properties, and molecular electrostatic potential, Hartree Fock at the (STO-3G) technique was used. To evaluate dapsone's pharmacological effects against coronavirus infections, docking calculations were made. This study is a component of our efforts to find a potent antiviral agent to treat this deadly disease, which unquestionably dictates medicinal chemistry efforts.

Keywords

Docking, COVID-19 proteins, Theoretical Chemistry, Dapsone, MOE.

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