New thiazolidine-2,4-diones as effective anti-proliferative and anti-VEGFR-2 agents: Design, synthesis, in vitro, docking, MD simulations, DFT, ADMET, and toxicity studies.

Thiazolidines / pharmacology Vascular Endothelial Growth Factor Receptor-2 Molecular Docking Simulation Phosphorylation Apoptosis Antineoplastic Agents / pharmacology Structure-Activity Relationship Molecular Structure Protein Kinase Inhibitors Cell Proliferation Drug Screening Assays, Antitumor Drug Design
Anti-proliferative DFT Docking MD simulations Thiazolidine-2,4-dione VEGFR-2

Journal

Computational biology and chemistry
ISSN: 1476-928X
Titre abrégé: Comput Biol Chem
Pays: England
ID NLM: 101157394

Informations de publication

Date de publication:
Dec 2023
Historique:
received: 21 07 2023
revised: 04 09 2023
accepted: 08 09 2023
medline: 27 11 2023
pubmed: 16 9 2023
entrez: 15 9 2023
Statut: ppublish

Résumé

Novel thiazolidine-2,4-dione derivatives, 11a-g, were designed, and synthesized targeting the VEGFR-2 protein. The in vitro studies indicated the abilities of the synthesized derivatives to inhibit VEGFR-2 and prevent the growth of two different cancer cell types, HepG2 and MCF-7. Compound 11 f exhibited the strongest anti-VEGFR-2 activity (IC

Identifiants

DOI: 10.1016/j.compbiolchem.2023.107958 PMID: 37714080
pubmed: 37714080
pii: S1476-9271(23)00149-4
doi: 10.1016/j.compbiolchem.2023.107958
pii:
doi:

Substances chimiques

Thiazolidines 0
Vascular Endothelial Growth Factor Receptor-2 EC 2.7.10.1
Antineoplastic Agents 0
Protein Kinase Inhibitors 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

107958

Informations de copyright

Copyright © 2023 Elsevier Ltd. All rights reserved.

Déclaration de conflit d'intérêts

Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. The authors declare the following financial interests/personal relationships which may be considered as potential competing interests.

Auteurs

Hazem Elkady (H)

Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Electronic address: Hazemelkady@azhar.edu.eg.

Abdelrahman A Abuelkhir (AA)

Department of Pharmaceutical Organic Chemistry, College of Pharmacy, Al-Azhar University, Cairo 11884, Egypt.

Mahmoud Rashed (M)

Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt.

Mohammed S Taghour (MS)

Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt.

Mohammed A Dahab (MA)

Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt.

Hazem A Mahdy (HA)

Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt.

Alaa Elwan (A)

Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt.

Hanan A Al-Ghulikah (HA)

Department of Chemistry, College of Science, Princess Nourah bint Abdulrahman University, Riyadh 11671, Saudi Arabia.

Eslam B Elkaeed (EB)

Department of Pharmaceutical Sciences, College of Pharmacy, AlMaarefa University, Riyadh 13713, Saudi Arabia.

Ibrahim M Ibrahim (IM)

Biophysics Department, Faculty of Science, Cairo University, Giza 12613, Egypt.

Dalal Z Husein (DZ)

Chemistry Department, Faculty of Science, New Valley University, El-Kharja 72511, Egypt.

Ahmed Metwaly (A)

Pharmacognosy and Medicinal Plants Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt; Biopharmaceutical Products Research Department, Genetic Engineering and Biotechnology Research Institute, City of Scientific Research and Technological Applications (SRTA-City), Alexandria 21934, Egypt.

Ibrahim H Eissa (IH)

Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt. Electronic address: Ibrahimeissa@azhar.edu.eg.

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Classifications MeSH

questionsmedicales.fr › Composés chimiques organiques › Composés du soufre › Thiazolidines › New thiazolidine-2,4-diones as effective...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines membranaires › Récepteurs de surface cellulaire › Récepteurs peptidiques › Récepteur facteur croissance › Récepteurs aux facteurs de croissance endothéliale vasculaire › Récepteur-2 au facteur croissance endothéliale vasculaire › New thiazolidine-2,4-diones as effective...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › New thiazolidine-2,4-diones as effective...
questionsmedicales.fr › Métabolisme › Phosphorylation › New thiazolidine-2,4-diones as effective...
questionsmedicales.fr › Phénomènes physiologiques cellulaires › Mort cellulaire › Mort cellulaire régulée › Apoptose › New thiazolidine-2,4-diones as effective...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Antinéoplasiques › New thiazolidine-2,4-diones as effective...
questionsmedicales.fr › Phénomènes physiologiques › Phénomènes pharmacologiques et toxicologiques › Phénomènes pharmacologiques › Relation structure-activité › New thiazolidine-2,4-diones as effective...
questionsmedicales.fr › Phénomènes chimiques › Structure moléculaire › New thiazolidine-2,4-diones as effective...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antienzymes › Inhibiteurs de protéines kinases › New thiazolidine-2,4-diones as effective...
questionsmedicales.fr › Phénomènes physiologiques › Croissance et développement › Croissance › Processus de croissance cellulaire › Prolifération cellulaire › New thiazolidine-2,4-diones as effective...
questionsmedicales.fr › Techniques d'investigation › Évaluation préclinique de médicament › Tests de criblage d'agents antitumoraux › New thiazolidine-2,4-diones as effective...
questionsmedicales.fr › Techniques d'investigation › Développement de médicament › Découverte de médicament › Conception de médicament › New thiazolidine-2,4-diones as effective...