Design, Synthesis, and In-Silico Analysis of Thiazole-Embedded Schiff Base Derivatives for Breast Cancer Therapeutic Potential DOI Open Access

Maher Afroj Khanam,

Ranajit Kumar Sutradhar, Ashutosh Nath

и другие.

Qeios, Год журнала: 2024, Номер 6(10)

Опубликована: Окт. 29, 2024

Thiazole-derived Schiff base compounds possess significant pharmacological properties, influencing various enzymes in metabolic pathways and exhibiting antibacterial, antifungal, anti-inflammatory, antioxidant, antiproliferative activities. This study delves into the synthesis, characterization, in-silico analysis of ten thiazole-embedded derivatives (TZ1-10), benchmarking them against five Food Drug Administration (FDA)-approved breast cancer drugs. Molecular docking multiple therapeutic targets related to fatty acid synthase cell proliferation (PDB IDs: 4FX3, 4OAR, 3NUP, 3ERT) alongside ADME Lipinski rule assessments were conducted. Compounds TZ6 TZ8 emerged as promising candidates with scores -8.0 kcal/mol -8.2 respectively 4FX3 protein. These findings contribute a deeper understanding derivatives, showcasing their potential for future medicinal scientific applications.

Язык: Английский

Design, Synthesis, and In-Silico Analysis of Thiazole-Embedded Schiff Base Derivatives for Breast Cancer Therapeutic Potential DOI Creative Commons

Maher Afroj Khanam,

Ranajit Kumar Sutradhar, Ashutosh Nath

и другие.

Опубликована: Окт. 14, 2024

Thiazole-derived Schiff base compounds possess significant pharmacological properties, influencing various enzymes in metabolic pathways and exhibiting antibacterial, antifungal, anti-inflammatory, antioxidant, antiproliferative activities. This study delves into the synthesis, characterization, in-silico analysis of ten thiazole-embedded derivatives (TZ1-10), benchmarking them against five Food Drug Administration (FDA)-approved breast cancer drugs. Molecular docking multiple therapeutic targets related to fatty acid synthase cell proliferation (PDB IDs: 4FX3, 4OAR, 3NUP, 3ERT) alongside ADME Lipinski rule assessments were conducted. Compounds TZ6 TZ8 emerged as promising candidates with scores -8.0 kcal/mol -8.2 respectively 4FX3 protein. These findings contribute a deeper understanding derivatives, showcasing their potential for future medicinal scientific applications.

Язык: Английский

Процитировано

0
Design, Synthesis, and In-Silico Analysis of Thiazole-Embedded Schiff Base Derivatives for Breast Cancer Therapeutic Potential DOI Open Access

Maher Afroj Khanam,

Ranajit Kumar Sutradhar, Ashutosh Nath

и другие.

Qeios, Год журнала: 2024, Номер 6(10)

Опубликована: Окт. 29, 2024

Thiazole-derived Schiff base compounds possess significant pharmacological properties, influencing various enzymes in metabolic pathways and exhibiting antibacterial, antifungal, anti-inflammatory, antioxidant, antiproliferative activities. This study delves into the synthesis, characterization, in-silico analysis of ten thiazole-embedded derivatives (TZ1-10), benchmarking them against five Food Drug Administration (FDA)-approved breast cancer drugs. Molecular docking multiple therapeutic targets related to fatty acid synthase cell proliferation (PDB IDs: 4FX3, 4OAR, 3NUP, 3ERT) alongside ADME Lipinski rule assessments were conducted. Compounds TZ6 TZ8 emerged as promising candidates with scores -8.0 kcal/mol -8.2 respectively 4FX3 protein. These findings contribute a deeper understanding derivatives, showcasing their potential for future medicinal scientific applications.

Язык: Английский

Процитировано

0