119238-52-7
Chemical Structure
D-Captopril
- CAS No.: 119238-52-7
- Formula:C9H15NO3S
- Molecular Weight:217.29
IUPAC Name: ((S)-3-mercapto-2-methylpropanoyl)-D-proline
InChIKey: FAKRSMQSSFJEIM-RNFRBKRXSA-N
SMILES: SC[C@@H](C)C(N1[C@H](CCC1)C(O)=O)=O
Biological Activity: D-Captopril is a NDM-1 inhibitor and a competitive BlaB inhibitor, with an IC50 value of 21.8 µM against NDM-1 and a Ki of 70-100 µM against BlaB. D-Captopril synergistically reduces the minimum inhibitory concentration of Meropenem (HY-13678) against NDM-1-expressing bacteria. D-Captopril binds to BcII via its thiolate sulfur atom and carboxylate group, altering metal ion occupancy and modulating Cd2+ binding affinity. D-Captopril can be used in the research of neonatal meningitis, sepsis and bacterial infections[1][2][3].
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D-Captopril | D-Captopril is a NDM-1 inhibitor and a competitive BlaB inhibitor, with an IC50 value of 21.8 µM against NDM-1 and a Ki of 70-100 µM against BlaB. D-Captopril synergistically reduces the minimum inhibitory concentration of Meropenem (HY-13678) against NDM-1-expressing bacteria. D-Captopril binds to BcII via its thiolate sulfur atom and carboxylate group, altering metal ion occupancy and modulating Cd2+ binding affinity. D-Captopril can be used in the research of neonatal meningitis, sepsis and bacterial infections. | |||||||||||||||||||||
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- [1]. García-Saez I, et al. The 1.5-A structure of Chryseobacterium meningosepticum zinc beta-lactamase in complex with the inhibitor, D-captopril. J Biol Chem. 2003;278(26):23868-23873. [Content Brief]
- [2]. Ma G, et al. Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg Med Chem. 2021;29:115902. [Content Brief]
- [3]. Heinz U, et al. Coordination geometries of metal ions in d- or l-captopril-inhibited metallo-beta-lactamases. J Biol Chem. 2003;278(23):20659-20666. [Content Brief]
Keywords
