Korea University of Science and Technology (UST) - Department of Bioinformatics; Korea University of Science and Technology (UST) - Department of Environmental Disease Research Center
This study utilized DNA-encoded library (DEL) screening to identify novel inhibitors of carbonic anhydrase 9 (CA9), a key cancer target. Among the identified compounds, CA9-005 exhibited strong inhibitory activity and reduced cancer cell viability while CA9-061 and CA9-062 showed high binding affinities but limited enzymatic inhibition. Biolayer interferometry confirmed CA9-005's direct interaction with CA9, supported by structural modeling. These findings highlight the potential of DEL screening for drug discovery and establish CA9-005 as a promising anticancer candidate, warranting further structural and therapeutic optimization.
Keywords: DNA-Encoded libraries, DEL, carbonic anhydrase 9, screening, cancer inhibition
koh, byumseok and Lee, Ju Ho and Park, Sung Bum and Kim, Jiwoo and Choi, Kyoung Jin and Im, Jeonghui and Lim, Byungho and Kim, Dae-Soo and Lee, Byungwook and Yu, Sunjong and Cho, Nam-Chul and Kim, Doyoun and Lee, Yuno and Kim, Hyun Jin and Kim, Ki Young and Heo, Jung-Nyoung, Discovery of Ca9-005 as a New Carbonic Anhydrase 9 Inhibitor Using a DNA Encoded-Libraries. Available at SSRN: https://ssrn.com/abstract=5218904 or http://dx.doi.org/10.2139/ssrn.5218904
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