2,5-Disubstituted thiadiazoles as potent β-glucuronidase inhibitors; Synthesis, in vitro and in silico studies.

Catalytic Domain Enzyme Inhibitors / chemistry Glucuronidase / antagonists & inhibitors Humans Molecular Docking Simulation Molecular Structure Protein Binding Structure-Activity Relationship Thiadiazoles / chemistry
Docking study SAR Synthesis Thiadiazoles β-glucuronidase inhibition

Journal

Bioorganic chemistry
ISSN: 1090-2120
Titre abrégé: Bioorg Chem
Pays: United States
ID NLM: 1303703

Informations de publication

Date de publication:
10 2019
Historique:
received: 02 03 2019
revised: 05 07 2019
accepted: 11 07 2019
pubmed: 28 7 2019
medline: 30 9 2020
entrez: 27 7 2019
Statut: ppublish

Résumé

Twenty-five thiadiazole derivatives 1-25 were synthesized from methyl 4-methoxybenzoate via hydrazide and thio-hydrazide intermediates, and evaluated for their potential against β-glucuronidase enzyme. Most of the compounds including 1 (IC

Identifiants

DOI: 10.1016/j.bioorg.2019.103126 PMID: 31349116
pubmed: 31349116
pii: S0045-2068(19)30345-1
doi: 10.1016/j.bioorg.2019.103126
pii:
doi:

Substances chimiques

Enzyme Inhibitors 0
Thiadiazoles 0
Glucuronidase EC 3.2.1.31

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

103126

Informations de copyright

Copyright © 2019 Elsevier Inc. All rights reserved.

Auteurs

Muhammad Taha (M)

Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box1982, Dammam 31441, Saudi Arabia. Electronic address: mtaha@iau.edu.sa.

Noor Barak Almandil (N)

Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box1982, Dammam 31441, Saudi Arabia.

Umer Rashid (U)

Department of Chemistry, COMSATS University, Islamabad, Pakistan.

Muhammad Ali (M)

Natural and Medical Plants Science Research Center, University of Nizwa, P.O. Box 33, Birkat Al Mauz, Nizwa 616, Oman.

Mohamed Ibrahim (M)

Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box1982, Dammam 31441, Saudi Arabia.

Mohammed Gollapalli (M)

College of Computer Science & Information Technology (CCSIT), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia.

Ashik Mosaddik (A)

Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box1982, Dammam 31441, Saudi Arabia.

Khalid Mohammed Khan (K)

Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box1982, Dammam 31441, Saudi Arabia; H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.

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Classifications MeSH

questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Conformation moléculaire › Conformation des protéines › Éléments structuraux des protéines › Domaine catalytique › 2,5-Disubstituted thiadiazoles as potent...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antienzymes › 2,5-Disubstituted thiadiazoles as potent...
questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Hydrolases › Glycosidases › Glucuronidase › 2,5-Disubstituted thiadiazoles as potent...
questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Mammifères › Eutheria › Primates › Haplorhini › Catarrhini › Hominidae › Humains › 2,5-Disubstituted thiadiazoles as potent...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › 2,5-Disubstituted thiadiazoles as potent...
questionsmedicales.fr › Phénomènes chimiques › Structure moléculaire › 2,5-Disubstituted thiadiazoles as potent...
questionsmedicales.fr › Métabolisme › Liaison aux protéines › 2,5-Disubstituted thiadiazoles as potent...
questionsmedicales.fr › Phénomènes physiologiques › Phénomènes pharmacologiques et toxicologiques › Phénomènes pharmacologiques › Relation structure-activité › 2,5-Disubstituted thiadiazoles as potent...
questionsmedicales.fr › Composés hétérocycliques › Composés hétéromonocycliques › Azoles › Thiazoles › Thiadiazoles › 2,5-Disubstituted thiadiazoles as potent...