Natural inhibitors for severe acute respiratory syndrome coronavirus 2 main protease from Moringa oleifera, Aloe vera, and Nyctanthes arbor-tristis: molecular docking and ab initio fragment molecular orbital calculations.

Shaji, Divya; Suzuki, Ryo; Yamamoto, Shohei; Orihashi, Daisuke; Kurita, Noriyuki

Natural inhibitors for severe acute respiratory syndrome coronavirus 2 main protease from Moringa oleifera, Aloe vera, and Nyctanthes arbor-tristis: molecular docking and ab initio fragment molecular orbital calculations.

Shaji, Divya; Suzuki, Ryo; Yamamoto, Shohei; Orihashi, Daisuke; Kurita, Noriyuki.

Affiliation

Shaji D; Department of Computer Science and Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi, Aichi 441-8580 Japan.
Suzuki R; Department of Computer Science and Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi, Aichi 441-8580 Japan.
Yamamoto S; Department of Computer Science and Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi, Aichi 441-8580 Japan.
Orihashi D; Department of Computer Science and Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi, Aichi 441-8580 Japan.
Kurita N; Department of Computer Science and Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi, Aichi 441-8580 Japan.

Struct Chem ; 33(5): 1771-1788, 2022.

Article in En | MEDLINE | ID: mdl-35938063