Thiadiazine thione derivatives as anti-leishmanial agents: synthesis, biological evaluation, structure activity relationship, ADMET, molecular docking and molecular dynamics simulation studies.

Fu, Chaoping; Qadir, Meshil; Shah, Muhammad Ishaq Ali; Shtaiwi, Amneh; Khan, Rasool; Khan, Shafi Ullah; Htar, Thet Thet; Zada, Amir; Lodhi, Muhammad Arif; Ateeq, Muhammad; Ali, Arif; Naeem, Mohammad; Ibrahim, Mohammad; Khan, Sher Wali

Fu, Chaoping; Qadir, Meshil; Shah, Muhammad Ishaq Ali; Shtaiwi, Amneh; Khan, Rasool; Khan, Shafi Ullah; Htar, Thet Thet; Zada, Amir; Lodhi, Muhammad Arif; Ateeq, Muhammad; Ali, Arif; Naeem, Mohammad; Ibrahim, Mohammad; Khan, Sher Wali.

Afiliación

Tamanna; Department of Chemistry, Abdul Wali Khan University, Mardan, Pakistan.
Fu C; Institute of Biomaterials and Tissue Engineering, Huaqiao University, Xiamen, P.R. China.
Qadir M; Department of Chemistry, Abdul Wali Khan University, Mardan, Pakistan.
Shah MIA; Department of Chemistry, Abdul Wali Khan University, Mardan, Pakistan.
Shtaiwi A; School of Pharmacy, Middle East University, Amman, Jordan.
Khan R; Institute of Chemical Sciences, University of Peshawar, Peshawar, Pakistan.
Khan SU; School of Pharmacy, Monash University Malaysia, Subang Jaya, Selangor, Malaysia.
Htar TT; School of Pharmacy, Monash University Malaysia, Subang Jaya, Selangor, Malaysia.
Zada A; Department of Chemistry, Abdul Wali Khan University, Mardan, Pakistan.
Lodhi MA; Department of Biochemistry, Abdul Wali Khan University, Mardan, Pakistan.
Ateeq M; Department of Chemistry, Abdul Wali Khan University, Mardan, Pakistan.
Ali A; Department of Chemistry, Abdul Wali Khan University, Mardan, Pakistan.
Naeem M; Department of Chemistry, Abdul Wali Khan University, Mardan, Pakistan.
Ibrahim M; Department of Chemistry, Abdul Wali Khan University, Mardan, Pakistan.
Khan SW; Department of Chemistry, Shaheed Benazir Bhutto University, Sheringal Upper Dir, Pakistan.

J Biomol Struct Dyn ; : 1-15, 2023 Aug 07.

Article en En | MEDLINE | ID: mdl-37551015

Palabras clave

AMDET; Leishmania major; Thiadiazine thione; leishmanicidal activity; molecular docking; molecular dynamic simulation

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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: Pakistán