Discovery of potent antiproliferative agents from selected oxygen heterocycles as EGFR tyrosine kinase inhibitors from the U.S. National Cancer Institute database by in silico screening and bioactivity evaluation.

Jiwacharoenchai, Nattanan; Saruengkhanphasit, Rungroj; Niwetmarin, Worawat; Seetaha, Supaporn; Choowongkomon, Kiattawee; Ruchirawat, Somsak; Eurtivong, Chatchakorn

Jiwacharoenchai, Nattanan; Saruengkhanphasit, Rungroj; Niwetmarin, Worawat; Seetaha, Supaporn; Choowongkomon, Kiattawee; Ruchirawat, Somsak; Eurtivong, Chatchakorn.

Afiliação

Jiwacharoenchai N; Department of Biochemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand; Genetic Engineering Interdisciplinary Program, Graduate School, Kasetsart University, Bangkok 10900, Thailand.
Saruengkhanphasit R; Program in Chemical Sciences, Chulabhorn Graduate Institute, Chulabhorn Royal Academy, Bangkok 10210, Thailand.
Niwetmarin W; Program in Chemical Sciences, Chulabhorn Graduate Institute, Chulabhorn Royal Academy, Bangkok 10210, Thailand.
Seetaha S; Department of Biochemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand.
Choowongkomon K; Department of Biochemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand; Center for Advanced Studies in Nanotechnology for Chemical, Food and Agricultural Industries, KU Institute for Advanced Studies, Kasetsart University, Bangkok 10900, Thailand. Electronic address: fsciktc@k
Ruchirawat S; Program in Chemical Sciences, Chulabhorn Graduate Institute, Chulabhorn Royal Academy, Bangkok 10210, Thailand; Laboratory of Medicinal Chemistry, Chulabhorn Research Institute, Bangkok 10210, Thailand; Center of Excellence on Environmental Health and Toxicology (EHT), Commission on Higher Education
Eurtivong C; Program in Chemical Sciences, Chulabhorn Graduate Institute, Chulabhorn Royal Academy, Bangkok 10210, Thailand; Center of Excellence on Environmental Health and Toxicology (EHT), Commission on Higher Education (CHE), Ministry of Education, Bangkok 10400, Thailand. Electronic address: chatchakorn@cgi

Bioorg Med Chem Lett ; 58: 128524, 2022 02 15.

Article em En | MEDLINE | ID: mdl-34995690

Assuntos

Antineoplásicos/farmacologia; Descoberta de Drogas; Compostos Heterocíclicos/farmacologia; Oxigênio/farmacologia; Inibidores de Proteínas Quinases/farmacologia; Xantenos/farmacologia; Antineoplásicos/síntese química; Antineoplásicos/química; Linhagem Celular Tumoral; Proliferação de Células/efeitos dos fármacos; Relação Dose-Resposta a Droga; Avaliação Pré-Clínica de Medicamentos; Ensaios de Seleção de Medicamentos Antitumorais; Receptores ErbB/antagonistas & inibidores; Receptores ErbB/metabolismo; Compostos Heterocíclicos/síntese química; Compostos Heterocíclicos/química; Humanos; Simulação de Acoplamento Molecular; Estrutura Molecular; National Cancer Institute (U.S.); Oxigênio/química; Inibidores de Proteínas Quinases/síntese química; Inibidores de Proteínas Quinases/química; Relação Estrutura-Atividade; Estados Unidos; Xantenos/síntese química; Xantenos/química

Palavras-chave

Antiproliferative; EGFR; Molecular docking; Similarity; Virtual screening

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Limite: Humans País/Região como assunto: America do norte Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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