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- Publisher Website: 10.1016/j.bmc.2020.115902
- Scopus: eid_2-s2.0-85097377819
- PMID: 33302045
- WOS: WOS:000612171900003
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Article: Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Title | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors |
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Authors | |
Keywords | Antibiotic resistance Drug discovery Metallo-β-lactamases (MBLs) Metallo-β-lactamase inhibitors Thiol compounds |
Issue Date | 2021 |
Publisher | Pergamon. The Journal's web site is located at http://www.elsevier.com/locate/bmc |
Citation | Bioorganic & Medicinal Chemistry, 2021, v. 29, p. article no. 115902 How to Cite? |
Abstract | β-lactam antibiotics have long been the mainstay for the treatment of bacterial infections. New Delhi metallo-β-lactamase 1 (NDM-1) is able to hydrolyze nearly all β-lactam antibiotics and even clinically used serine-β-lactamase inhibitors. The wide and rapid spreading of NDM-1 gene among pathogenic bacteria has attracted extensive attention, therefore high potency NDM-1 inhibitors are urgently needed. Here we report a series of structure-guided design of D-captopril derivatives that can inhibit the activity of NDM-1 in vitro and at cellular levels. Structural comparison indicates the mechanisms of inhibition enhancement and provides insights for further inhibitor optimization. |
Persistent Identifier | http://hdl.handle.net/10722/295505 |
ISSN | 2023 Impact Factor: 3.3 2023 SCImago Journal Rankings: 0.614 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Ma, G | - |
dc.contributor.author | Wang, S | - |
dc.contributor.author | Wu, K | - |
dc.contributor.author | Zhang, W | - |
dc.contributor.author | Ahmad, A | - |
dc.contributor.author | Hao, Q | - |
dc.contributor.author | Lei, X | - |
dc.contributor.author | Zhang, H | - |
dc.date.accessioned | 2021-01-25T11:15:50Z | - |
dc.date.available | 2021-01-25T11:15:50Z | - |
dc.date.issued | 2021 | - |
dc.identifier.citation | Bioorganic & Medicinal Chemistry, 2021, v. 29, p. article no. 115902 | - |
dc.identifier.issn | 0968-0896 | - |
dc.identifier.uri | http://hdl.handle.net/10722/295505 | - |
dc.description.abstract | β-lactam antibiotics have long been the mainstay for the treatment of bacterial infections. New Delhi metallo-β-lactamase 1 (NDM-1) is able to hydrolyze nearly all β-lactam antibiotics and even clinically used serine-β-lactamase inhibitors. The wide and rapid spreading of NDM-1 gene among pathogenic bacteria has attracted extensive attention, therefore high potency NDM-1 inhibitors are urgently needed. Here we report a series of structure-guided design of D-captopril derivatives that can inhibit the activity of NDM-1 in vitro and at cellular levels. Structural comparison indicates the mechanisms of inhibition enhancement and provides insights for further inhibitor optimization. | - |
dc.language | eng | - |
dc.publisher | Pergamon. The Journal's web site is located at http://www.elsevier.com/locate/bmc | - |
dc.relation.ispartof | Bioorganic & Medicinal Chemistry | - |
dc.subject | Antibiotic resistance | - |
dc.subject | Drug discovery | - |
dc.subject | Metallo-β-lactamases (MBLs) | - |
dc.subject | Metallo-β-lactamase inhibitors | - |
dc.subject | Thiol compounds | - |
dc.title | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors | - |
dc.type | Article | - |
dc.identifier.email | Hao, Q: qhao@hku.hk | - |
dc.identifier.authority | Hao, Q=rp01332 | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1016/j.bmc.2020.115902 | - |
dc.identifier.pmid | 33302045 | - |
dc.identifier.scopus | eid_2-s2.0-85097377819 | - |
dc.identifier.hkuros | 320943 | - |
dc.identifier.volume | 29 | - |
dc.identifier.spage | article no. 115902 | - |
dc.identifier.epage | article no. 115902 | - |
dc.identifier.isi | WOS:000612171900003 | - |
dc.publisher.place | United Kingdom | - |