Prof. Dr. Adel Amala Damad, a lecturer in the Department of Chemistry at the College of Education for Pure Sciences - University of Basra, published a research entitled

Interacting Cubane Assisted Bi-Cytidine with COVID-19 Main Protease: In Silico Study

In Journal: Biointerface Research in Applied Chemistry

In the publishing house: AMG Transcend Association

It is included in the container: Clarvet and Scopus

Summary

Quantum chemical calculations and molecular docking simulations were used to investigate the formation of a cytidine-assisted cupene (B-Cyt) derivative to examine its interactions with the COVID-19 major protease. The obtained results indicated that the new B-Cyt derivative could be stabilized without any placebo frequency. Its orbital-based electronic properties indicated that the structure could have better target interaction than single Cyt binding. The docking results agreed with the trend, as the binding energy value was very favorable with respect to the individual motifs, and the number of reactive amino acids was increased. The idea of ​​creating a Cyt derivative with potent activity against the COVID-19 key protease, which is very important for the protection of patients with cancer or HIV from the COVID-19 pandemic, is approved here.