Design, synthesis, in silico ADMET, docking, and antiproliferative evaluations of [1,2,4]triazolo[4,3-c]quinazolines as classical DNA intercalators.

Antineoplastic Agents Cell Proliferation DNA / chemistry Dose-Response Relationship, Drug Drug Design Drug Screening Assays, Antitumor Humans Intercalating Agents / pharmacology Molecular Docking Simulation Molecular Structure Quinazolines / pharmacology Structure-Activity Relationship
DNA intercalators [1,2,4]triazolo[4,3-c]quinazoline anticancer agents molecular docking

Journal

Archiv der Pharmazie
ISSN: 1521-4184
Titre abrégé: Arch Pharm (Weinheim)
Pays: Germany
ID NLM: 0330167

Informations de publication

Date de publication:
Apr 2022
Historique:
revised: 17 12 2021
received: 21 10 2021
accepted: 21 12 2021
pubmed: 12 1 2022
medline: 6 4 2022
entrez: 11 1 2022
Statut: ppublish

Résumé

Eleven novel [1,2,4]triazolo[4,3-c]quinazolines were designed, synthesized, and evaluated against HepG2 and HCT-116 cells. The molecular design was performed to investigate the binding mode of the proposed compounds with the DNA active site. The data obtained from biological testing highly correlated with that obtained from molecular modeling. HCT-116 was found to be the most sensitive cell line to the influence of the new derivatives. In particular, compounds 6

Identifiants

DOI: 10.1002/ardp.202100412 PMID: 35014084
pubmed: 35014084
doi: 10.1002/ardp.202100412
doi:

Substances chimiques

Antineoplastic Agents 0
Intercalating Agents 0
Quinazolines 0
DNA 9007-49-2

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

e2100412

Informations de copyright

© 2022 Deutsche Pharmazeutische Gesellschaft.

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Auteurs

Mohamed S Alesawy (MS)

Pharmaceutical Medicinal Chemistry and Drug Design Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt.
ORCID: 0000-0001-9202-1754

Mohamed-Kamal Ibrahim (MK)

Pharmaceutical Medicinal Chemistry and Drug Design Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt.

Ibrahim H Eissa (IH)

Pharmaceutical Medicinal Chemistry and Drug Design Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt.
ORCID: 0000-0002-6955-2263

Khaled El-Adl (K)

Pharmaceutical Medicinal Chemistry and Drug Design Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt.
Pharmaceutical Chemistry Department, Faculty of Pharmacy, Heliopolis University for Sustainable Development, Cairo, Egypt.
ORCID: 0000-0002-8922-9770

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Classifications MeSH

questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Antinéoplasiques › Design, synthesis, in silico ADMET, docking,...
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questionsmedicales.fr › Actions chimiques et utilisations › Utilisations spécialisées de produits chimiques › Produits chimiques de laboratoire › Indicateurs et réactifs › Intercalants › Design, synthesis, in silico ADMET, docking,...
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questionsmedicales.fr › Composés hétérocycliques › Composés hétérocycliques à cycles fusionnés › Composés hétérobicycliques › Quinazolines › Design, synthesis, in silico ADMET, docking,...
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