Mycophenolic anilides as broad specificity inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitors.

Anilides / chemistry Antiparasitic Agents / chemistry Binding Sites / drug effects Cryptosporidiosis / drug therapy Cryptosporidium parvum / enzymology Enzyme Inhibitors / chemistry Humans IMP Dehydrogenase / antagonists & inhibitors Molecular Docking Simulation Phenols / chemistry
Binding mode Cryptosporidium parvum IMPDH Inhibitor Inosine-5’-monophosphate dehydrogenase

Journal

Bioorganic & medicinal chemistry letters
ISSN: 1464-3405
Titre abrégé: Bioorg Med Chem Lett
Pays: England
ID NLM: 9107377

Informations de publication

Date de publication:
15 12 2020
Historique:
received: 02 07 2020
revised: 03 09 2020
accepted: 04 09 2020
pubmed: 16 9 2020
medline: 29 6 2021
entrez: 15 9 2020
Statut: ppublish

Résumé

Inosine-5'-monophosphate dehydrogenase (IMPDH) is a potential target for microorganisms. However, identifying inhibitor design determinants for IMPDH orthologs continues to evolve. Herein, a series of mycophenolic anilide inhibitors of Cryptosporidium parvum and human IMPDHs are reported. Furthermore, molecular docking of 12 (e.g. SH-19; CpIMPDH K

Identifiants

DOI: 10.1016/j.bmcl.2020.127543 PMID: 32931912 PMC: PMC9511823
pubmed: 32931912
pii: S0960-894X(20)30654-5
doi: 10.1016/j.bmcl.2020.127543
pmc: PMC9511823
mid: NIHMS1636360
pii:
doi:

Substances chimiques

Anilides 0
Antiparasitic Agents 0
Enzyme Inhibitors 0
Phenols 0
IMP Dehydrogenase EC 1.1.1.205

Types de publication

Journal Article Research Support, N.I.H., Extramural

Langues

eng

Sous-ensembles de citation

IM

Pagination

127543

Subventions

Organisme : NIAID NIH HHS
ID : R01 AI125362
Pays : United States

Informations de copyright

Copyright © 2020 Elsevier Ltd. All rights reserved.

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Auteurs

Seungheon Lee (S)

Department of Pharmacological and Pharmaceutical Sciences, University of Houston, Health Building 2, Houston, TX 77204, USA.

Angela F Ku (AF)

Department of Pharmacological and Pharmaceutical Sciences, University of Houston, Health Building 2, Houston, TX 77204, USA; Department of Chemistry, University of Houston, Health Building 2, Houston, TX 77204, USA.

Mohana Rao Vippila (MR)

Department of Pharmacological and Pharmaceutical Sciences, University of Houston, Health Building 2, Houston, TX 77204, USA.

Yong Wang (Y)

Department of Pharmacological and Pharmaceutical Sciences, University of Houston, Health Building 2, Houston, TX 77204, USA.

Minjia Zhang (M)

Departments of Biology, 415 South St., Waltham, MA 02454, USA.

Xingyou Wang (X)

Departments of Biology, 415 South St., Waltham, MA 02454, USA.

Lizbeth Hedstrom (L)

Departments of Biology, 415 South St., Waltham, MA 02454, USA; Chemistry, Brandeis University, 415 South St., Waltham, MA 02454, USA.

Gregory D Cuny (GD)

Department of Pharmacological and Pharmaceutical Sciences, University of Houston, Health Building 2, Houston, TX 77204, USA. Electronic address: gdcuny@central.uh.edu.

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Classifications MeSH

questionsmedicales.fr › Composés chimiques organiques › Amines › Dérivés de l'aniline › Anilides › Mycophenolic anilides as broad specificity...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Anti-infectieux › Antiparasitaires › Mycophenolic anilides as broad specificity...
questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Sites de fixation › Mycophenolic anilides as broad specificity...
questionsmedicales.fr › Maladies de l'animal › Parasitoses animales › Protozooses animales › Cryptosporidiose › Mycophenolic anilides as broad specificity...
questionsmedicales.fr › Eucaryotes › Alveolata › Apicomplexa › Coccidia › Eimeriida › Cryptosporidiidae › Cryptosporidium › Cryptosporidium parvum › Mycophenolic anilides as broad specificity...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antienzymes › Mycophenolic anilides as broad specificity...
questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Mammifères › Eutheria › Primates › Haplorhini › Catarrhini › Hominidae › Humains › Mycophenolic anilides as broad specificity...
questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Oxidoreductases › Alcohol oxidoreductases › NAD (+) and NADP (+) dependent Alcohol oxidoreductases › IMP dehydrogenase › Mycophenolic anilides as broad specificity...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › Mycophenolic anilides as broad specificity...
questionsmedicales.fr › Composés chimiques organiques › Hydrocarbures › Hydrocarbures cycliques › Hydrocarbures aromatiques › Dérivés du benzène › Phénols › Mycophenolic anilides as broad specificity...