In-silico investigation of oxoaporphine alkaloids of Xylopia aethiopica against SARS-COV-2 main protease

Background: The ongoing coronavirus pandemic poses a significant social, economic, and health threat worldwide. situation is exacerbated further by vaccine hesitancy the development of mutant strains that could lead to drug resistance. It therefore critical find new anti-viral chemotherapeutic agents reduce or end epidemic. This study aimed investigate antiprotease activity oxoaporphine alkaloids in Xylopia aethiopica. Methods: Computational techniques such as molecular docking were used probe plant for their ability inhibit main protease Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). score calculations which quantifies predictive binding affinity both ligand target was carried out using Auto-Dock Vina software. Results: results showed had better than hydroxychloroquine sulfate (standard). Similarly, values chemical descriptors obtained these revealed notable profiles, also have good oral bioavailability according rule five. Conclusion: These findings imply plant-based be investigated prospective leads against SARS-CoV-2 protease. Furthermore, structural-activity relationships on compounds an effective way mitigate predicted side effects