Computational approach towards the design of artemisinin-thymoquinone hybrids against main protease of SARS-COV-2.

Victor Moreira de OliveiraMatheus Nunes da RochaEmanuel Paula MagalhãesFrancisco Rogênio da Silva MendesMárcia Machado MarinhoRamon Róseo Paula Pessoa Bezerra de MenezesTiago Lima SampaioHélcio Silva Dos SantosAlice Maria Costa MartinsEmanuelle Machado Marinho

Published in: Future journal of pharmaceutical sciences (2021)

Hybrid products of artemisinin and thymoquinone have the potential to inhibit Mpro, with desirable pharmacokinetic and toxicity characteristics compared to commercially available drugs, being indicated for preclinical and subsequent clinical studies against SARS-CoV-2. Emphasizing the possibility of synergistic use with currently used drugs in order to increase half-life and generate a possible synergistic effect. This work represents an important step for the development of specific drugs against COVID-19.

Keyphrases

sars cov
respiratory syndrome coronavirus
coronavirus disease
oxidative stress
plasmodium falciparum
drug induced
bone marrow
cancer therapy
mesenchymal stem cells
human health