Design, synthesis, docking, MD simulations, and anti-proliferative evaluation of thieno[2,3-<i>d</i>]pyrimidine derivatives as new EGFR inhibitors.

Sobh, Eman A; Dahab, Mohammed A; Elkaeed, Eslam B; Alsfouk, Aisha A; Ibrahim, Ibrahim M; Metwaly, Ahmed M; Eissa, Ibrahim H

Design, synthesis, docking, MD simulations, and anti-proliferative evaluation of thieno[2,3-d]pyrimidine derivatives as new EGFR inhibitors.

Sobh, Eman A; Dahab, Mohammed A; Elkaeed, Eslam B; Alsfouk, Aisha A; Ibrahim, Ibrahim M; Metwaly, Ahmed M; Eissa, Ibrahim H.

Afiliação

Sobh EA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Menoufia University, Menoufia, Egypt.
Dahab MA; Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo, Egypt.
Elkaeed EB; Department of Pharmaceutical Sciences, College of Pharmacy, AlMaarefa University, Riyadh, Saudi Arabia.
Alsfouk AA; Department of Pharmaceutical Sciences, College of Pharmacy, Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia.
Ibrahim IM; Biophysics Department, Faculty of Science, Cairo University, Cairo, Egypt.
Metwaly AM; Pharmacognosy and Medicinal Plants Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo, Egypt.
Eissa IH; Biopharmaceutical Products Research Department, Genetic Engineering and Biotechnology Research Institute, City of Scientific Research and Technological Applications (SRTA-City), Alexandria, Egypt.

J Enzyme Inhib Med Chem ; 38(1): 2220579, 2023 Dec.

Article em En | MEDLINE | ID: mdl-37288786

Assuntos

Antineoplásicos; Receptores ErbB; Neoplasias Pulmonares; Humanos; Antineoplásicos/química; Proteína X Associada a bcl-2; Linhagem Celular Tumoral; Proliferação de Células; Ensaios de Seleção de Medicamentos Antitumorais; Receptores ErbB/antagonistas & inibidores; Simulação de Acoplamento Molecular; Estrutura Molecular; Mutação; Inibidores de Proteínas Quinases/química; Pirimidinas/química; Relação Estrutura-Atividade

Palavras-chave

Anti-proliferative; EGFR inhibitors; MD simulations; apoptosis; thieno[2,3-d]pyrimidines

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Receptores ErbB / Neoplasias Pulmonares / Antineoplásicos Limite: Humans Idioma: En Revista: J Enzyme Inhib Med Chem Assunto da revista: BIOQUIMICA / QUIMICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Egito

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