Computational study on the mechanisms of inhibition of SARS-CoV-2 M<sup>pro</sup> by aldehyde warheads based on DFT.

Yang, Yongsheng; Zhang, Chenghua; Qian, Xingcan; Jia, Feiyun; Liang, Shiwei

Computational study on the mechanisms of inhibition of SARS-CoV-2 M^pro by aldehyde warheads based on DFT.

Yang, Yongsheng; Zhang, Chenghua; Qian, Xingcan; Jia, Feiyun; Liang, Shiwei.

Afiliación

Yang Y; School of Pharmacy and Institute of Pharmacy, North Sichuan Medical College, Sichuan, China. yangyongsheng108@163.com.
Zhang C; School of Pharmacy and Institute of Pharmacy, North Sichuan Medical College, Sichuan, China. yangyongsheng108@163.com.
Qian X; School of Pharmacy and Institute of Pharmacy, North Sichuan Medical College, Sichuan, China. yangyongsheng108@163.com.
Jia F; School of Pharmacy and Institute of Pharmacy, North Sichuan Medical College, Sichuan, China. yangyongsheng108@163.com.
Liang S; School of Basic Medical Sciences and Forensic Medicine, North Sichuan Medical College, Sichuan, China.

Phys Chem Chem Phys ; 25(38): 26308-26315, 2023 Oct 04.

Article en En | MEDLINE | ID: mdl-37747304

Asunto(s)

Aldehídos; Antivirales; Proteasas 3C de Coronavirus; SARS-CoV-2; Humanos; Aldehídos/química; Aldehídos/farmacología; Antivirales/química; Antivirales/farmacología; Simulación del Acoplamiento Molecular; Protones; SARS-CoV-2/enzimología; Proteasas 3C de Coronavirus/antagonistas & inhibidores; Proteasas 3C de Coronavirus/química

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Antivirales / Aldehídos / Proteasas 3C de Coronavirus / SARS-CoV-2 Límite: Humans Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: China

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