QSAR and Docking Studies on Triazole Benzene Sulfonamides with Human Carbonic Anhydrase IX Inhibitory Activity

According to WHO reports, Cancer is the second leading cause of death worldwide and is responsible for an estimated 9.6 million deaths in 2018. Breast cancer accounted for 2.09 million cases in the year 2018. Carbonic anhydrases are involved in lowering tumor pH by converting carbon dioxide and water to carbonic acid. It is known that transcription of carbonic anhydrase IX (CA IX) is activated by hypoxia and suppressed in normoxia. 4-Hydroxy-3-(3-(phenyl ureido) benzene sulfonamides as SLC-0111 is currently in clinical trials for CA-IX inhibition activity in hypoxic tumors. One of the rational and successful methods in drug design is Quantitative structure-activity relationship (QSAR), playing a key role in optimizing leads and thereby improving their biological activity. The aim of this work is to design better leads for carbonic anhydrase IX inhibition, a major hypoxic target for breast cancer.