Discovery of CA9–005 as a new carbonic anhydrase 9 inhibitor using a DNA encoded-libraries

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 inhibitory activity and reduced cancer cell viability. Biolayer interferometry confirmed CA9–005's direct in...

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Main Authors: Ju Ho Lee, Sung Bum Park, Byumseok Koh, Jiwoo Kim, Kyoung Jin Choi, Jeonghui Im, Byungho Lim, Daesoo Kim, Byungwook Lee, Sunjong Yu, Nam-Chul Cho, Doyoun Kim, Yuno Lee, Hyun Jin Kim, Ki Young Kim, Jung-Nyoung Heo
Format: Article
Language:English
Published: Elsevier 2025-07-01
Series:Results in Chemistry
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Online Access:http://www.sciencedirect.com/science/article/pii/S2211715625004382
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author Ju Ho Lee
Sung Bum Park
Byumseok Koh
Jiwoo Kim
Kyoung Jin Choi
Jeonghui Im
Byungho Lim
Daesoo Kim
Byungwook Lee
Sunjong Yu
Nam-Chul Cho
Doyoun Kim
Yuno Lee
Hyun Jin Kim
Ki Young Kim
Jung-Nyoung Heo
author_facet Ju Ho Lee
Sung Bum Park
Byumseok Koh
Jiwoo Kim
Kyoung Jin Choi
Jeonghui Im
Byungho Lim
Daesoo Kim
Byungwook Lee
Sunjong Yu
Nam-Chul Cho
Doyoun Kim
Yuno Lee
Hyun Jin Kim
Ki Young Kim
Jung-Nyoung Heo
author_sort Ju Ho Lee
collection DOAJ
description 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 inhibitory activity and reduced cancer cell viability. 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 anticancer candidate, warranting further structural and therapeutic optimization.
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publishDate 2025-07-01
publisher Elsevier
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series Results in Chemistry
spelling doaj-art-3a73a80f82404bbca68b3a108e357cd52025-08-20T03:59:31ZengElsevierResults in Chemistry2211-71562025-07-011610245510.1016/j.rechem.2025.102455Discovery of CA9–005 as a new carbonic anhydrase 9 inhibitor using a DNA encoded-librariesJu Ho Lee0Sung Bum Park1Byumseok Koh2Jiwoo Kim3Kyoung Jin Choi4Jeonghui Im5Byungho Lim6Daesoo Kim7Byungwook Lee8Sunjong Yu9Nam-Chul Cho10Doyoun Kim11Yuno Lee12Hyun Jin Kim13Ki Young Kim14Jung-Nyoung Heo15Therapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Department of DEL Technology, KRICT, Daejeon 34114, Republic of KoreaTherapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Department of DEL Technology, KRICT, Daejeon 34114, Republic of KoreaTherapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Medicinal Chemistry & Pharmacology, Korea National University of Science & Technology (UST), Daejeon 34113, Republic of Korea; Department of DEL Technology, KRICT, Daejeon 34114, Republic of KoreaTherapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 34134, Republic of Korea; Department of DEL Technology, KRICT, Daejeon 34114, Republic of KoreaTherapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Department of DEL Technology, KRICT, Daejeon 34114, Republic of KoreaTherapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 34134, Republic of KoreaTherapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Medicinal Chemistry & Pharmacology, Korea National University of Science & Technology (UST), Daejeon 34113, Republic of Korea; Department of DEL Technology, KRICT, Daejeon 34114, Republic of KoreaDigital Biotech Innovation Center, Korea Research Institute of Bioscience and Biotechnology (KRIBB), Daejeon 34141, Republic of KoreaDigital Biotech Innovation Center, Korea Research Institute of Bioscience and Biotechnology (KRIBB), Daejeon 34141, Republic of KoreaTherapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Department of DEL Technology, KRICT, Daejeon 34114, Republic of KoreaTherapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Department of DEL Technology, KRICT, Daejeon 34114, Republic of KoreaTherapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Medicinal Chemistry & Pharmacology, Korea National University of Science & Technology (UST), Daejeon 34113, Republic of Korea; Department of DEL Technology, KRICT, Daejeon 34114, Republic of Korea; Corresponding authors at: Therapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea.Therapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Department of DEL Technology, KRICT, Daejeon 34114, Republic of Korea; Corresponding authors at: Therapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea.Therapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Department of DEL Technology, KRICT, Daejeon 34114, Republic of Korea; Corresponding authors at: Therapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea.Therapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 34134, Republic of Korea; Department of DEL Technology, KRICT, Daejeon 34114, Republic of Korea; Corresponding authors at: Therapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea.Therapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea; Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 34134, Republic of Korea; Department of DEL Technology, KRICT, Daejeon 34114, Republic of Korea; Corresponding authors at: Therapeutics & Biotechnology Division, Korea Research Institute of Chemical Technology (KRICT), Daejeon 34114, Republic of Korea.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 inhibitory activity and reduced cancer cell viability. 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 anticancer candidate, warranting further structural and therapeutic optimization.http://www.sciencedirect.com/science/article/pii/S2211715625004382DNA-encoded librariesDELCarbonic anhydrase 9Screeningcancer inhibition
spellingShingle Ju Ho Lee
Sung Bum Park
Byumseok Koh
Jiwoo Kim
Kyoung Jin Choi
Jeonghui Im
Byungho Lim
Daesoo Kim
Byungwook Lee
Sunjong Yu
Nam-Chul Cho
Doyoun Kim
Yuno Lee
Hyun Jin Kim
Ki Young Kim
Jung-Nyoung Heo
Discovery of CA9–005 as a new carbonic anhydrase 9 inhibitor using a DNA encoded-libraries
Results in Chemistry
DNA-encoded libraries
DEL
Carbonic anhydrase 9
Screening
cancer inhibition
title Discovery of CA9–005 as a new carbonic anhydrase 9 inhibitor using a DNA encoded-libraries
title_full Discovery of CA9–005 as a new carbonic anhydrase 9 inhibitor using a DNA encoded-libraries
title_fullStr Discovery of CA9–005 as a new carbonic anhydrase 9 inhibitor using a DNA encoded-libraries
title_full_unstemmed Discovery of CA9–005 as a new carbonic anhydrase 9 inhibitor using a DNA encoded-libraries
title_short Discovery of CA9–005 as a new carbonic anhydrase 9 inhibitor using a DNA encoded-libraries
title_sort discovery of ca9 005 as a new carbonic anhydrase 9 inhibitor using a dna encoded libraries
topic DNA-encoded libraries
DEL
Carbonic anhydrase 9
Screening
cancer inhibition
url http://www.sciencedirect.com/science/article/pii/S2211715625004382
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