Virtual screening for potential discoidin domain receptor 1 (DDR1) inhibitors based on structural assessment.

Xie, Jiali; Meng, Dan; Li, Yihao; Li, Ruoyu; Deng, Ping

Xie, Jiali; Meng, Dan; Li, Yihao; Li, Ruoyu; Deng, Ping.

Afiliación

Xie J; College of Pharmacy, Chongqing Medical University, Chongqing, 400016, China.
Meng D; Chongqing Research Center for Pharmaceutical Engineering, Chongqing, 400016, China.
Li Y; Chongqing Key Research Laboratory for Quality Evaluation and Safety Research of APIs, Chongqing, 400016, China.
Li R; College of Pharmacy, Chongqing Medical University, Chongqing, 400016, China.
Deng P; Chongqing Research Center for Pharmaceutical Engineering, Chongqing, 400016, China.

Mol Divers ; 27(5): 2297-2314, 2023 Oct.

Article en En | MEDLINE | ID: mdl-36322341

Asunto(s)

Receptor con Dominio Discoidina 1; Proteínas Tirosina Quinasas Receptoras; Proteínas Tirosina Quinasas Receptoras/química; Receptores con Dominio Discoidina; Receptores Mitogénicos/química; Receptores Mitogénicos/metabolismo; Simulación del Acoplamiento Molecular

Palabras clave

Discoidin domain receptor 1 inhibitor; Idiopathic pulmonary fibrosis; MM/PBSA calculations; Molecular dynamics; Pharmacophore model; Structure-based virtual screening

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Proteínas Tirosina Quinasas Receptoras / Receptor con Dominio Discoidina 1 Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: Mol Divers Asunto de la revista: BIOLOGIA MOLECULAR Año: 2023 Tipo del documento: Article País de afiliación: China

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