LY3041658/ interleukin-8 complex structure as targets for IL-8 small molecule inhibitors discovery using a combination of in silico methods.

Tran, T T N; Tran, Q H; Nguyen, Q T; Le, M T; Trinh, D T T; Tran, V H; Thai, K M

Tran, T T N; Tran, Q H; Nguyen, Q T; Le, M T; Trinh, D T T; Tran, V H; Thai, K M.

Afiliación

Tran TTN; Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh, Vietnam.
Tran QH; Department of Pharmaceutical Chemistry, Da Nang University of Medical Technology and Pharmacy, Da Nang, Vietnam.
Nguyen QT; Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh, Vietnam.
Le MT; Department of Pharmaceutical Chemistry, Da Nang University of Medical Technology and Pharmacy, Da Nang, Vietnam.
Trinh DTT; Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh, Vietnam.
Tran VH; Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh, Vietnam.
Thai KM; School of Medicine, Vietnam National University Ho Chi Minh City, Ho Chi Minh City, Vietnam.

SAR QSAR Environ Res ; 33(10): 753-778, 2022 Oct.

Article en En | MEDLINE | ID: mdl-36318662

Asunto(s)

Tratamiento Farmacológico de COVID-19; Interleucina-8; Humanos; Simulación del Acoplamiento Molecular; Relación Estructura-Actividad Cuantitativa; Simulación de Dinámica Molecular; Ligandos

Palabras clave

Interleukin-8; free binding energy; in silico; molecular docking; molecular dynamics simulation; pharmacophore

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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Interleucina-8 / Tratamiento Farmacológico de COVID-19 Tipo de estudio: Prognostic_studies Límite: Humans Idioma: En Revista: SAR QSAR Environ Res Asunto de la revista: SAUDE AMBIENTAL Año: 2022 Tipo del documento: Article País de afiliación: Vietnam

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