Theses and Dissertations

Date of Award


Document Type


Degree Name

Master of Science (MS)



First Advisor

Dr. Debasish Bandyopadhyay

Second Advisor

Dr. Javier Macossay-Torres

Third Advisor

Dr. Ahmad Hassan


Coronavirus disease was declared a global pandemic by WHO in March 2020, cancer is the second leading cause of death by a disease. Several scientists around the world are working relentlessly to discover an effective remedy to eradicate these deadly diseases. A natural polyphenol (magnolol) has been isolated from a tree Magnolia grandiflora (family Magnoliaceae) found on UTRGV campuses. This research is focused on design of a series of chemically modified sulfonyl derivatives based on the isolated magnolol framework and other medicinally privileged molecular scaffolds framework that can effectively bind to the COVID-19 main protease, SARS- CoV-2 3CL protease and K-Ras protease (PDB ID’s: 6LU7, 6M2Q, 4EPV, respectively). In silico studies was conducted to identify lead compounds of the series, determine protein-ligand interactions, physicochemical properties and druggability of the new compounds. On appropriate biological evaluations, these novel compounds may possibly find pharmacological applications as antiviral agents against COVID-19 disease or as anticancer agents.


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