Phytochemical analysis, therapeutic and molecular docking studies for the compounds of wild type and Senkambu variants of curry leaves targeting HER2 Kinase domain a potential gastric cancer receptor DOI Open Access

S Sandhya,

V. Jegadeeswari, Jayakanthan Mannu

et al.

Plant Science Today, Journal Year: 2024, Volume and Issue: 11(sp3)

Published: Dec. 25, 2024

Gastric cancer is the fifth most notable health concern globally. In recent years, molecular docking, a computational technique, has emerged as tool in drug discovery. The present investigation aimed to identify major bioactive compounds wild-type curry leaves found Shevaroy Hills and local Senkambu variant from Karamadai. Virtual screening of 40 ligands Curry wild type was identified through GC-MS profiling. These were targeted against HER2 Kinase domain which potential receptor for cancer. Information regarding binding site residues predicted using CASTp server. Molecular docking performed kinase with top 3 hits reported least affinity target protein considered further interaction analysis Biovia Discovery studio visualizer. Upon analyzing interacted compounds, Piperine Wild have good by forming two hydrogen bonds score -8.3 k cal/mol. current study might guide designing analogues piperine evolution effective broad spectrum development therapy.

Language: Английский

Piper nigrum and Piperine: Phytochemistry, Traditional Uses, Preclinical Studies, and Clinical Trials DOI

Arefeh Mollazadeh-Aval,

Zahra Boghrati,

Abdur Rahman

et al.

Published: Jan. 1, 2024

Language: Английский

Citations

0
Synthesis, In Vitro and In Silico Evaluation of 3-(4, 5-Diphenyl-4H-1,2,4-triazol-3-yl)pyridine Derivatives As Potential Antimicrobial Agents DOI
Ritu Dinkar, Mange Ram Yadav, Anuj K. Jain

et al.

Russian Journal of Bioorganic Chemistry, Journal Year: 2024, Volume and Issue: 50(5), P. 2013 - 2023

Published: Oct. 1, 2024

Language: Английский

Citations

0
Exploring Piperine: Unleashing the multifaceted potential of a phytochemical in cancer therapy DOI
Devika Tripathi, Tanya Gupta, Prashant Kumar Pandey

et al.

Molecular Biology Reports, Journal Year: 2024, Volume and Issue: 51(1)

Published: Oct. 12, 2024

Language: Английский

Citations

0
Phytochemical analysis, therapeutic and molecular docking studies for the compounds of wild type and Senkambu variants of curry leaves targeting HER2 Kinase domain a potential gastric cancer receptor DOI Open Access

S Sandhya,

V. Jegadeeswari, Jayakanthan Mannu

et al.

Plant Science Today, Journal Year: 2024, Volume and Issue: 11(sp3)

Published: Dec. 25, 2024

Gastric cancer is the fifth most notable health concern globally. In recent years, molecular docking, a computational technique, has emerged as tool in drug discovery. The present investigation aimed to identify major bioactive compounds wild-type curry leaves found Shevaroy Hills and local Senkambu variant from Karamadai. Virtual screening of 40 ligands Curry wild type was identified through GC-MS profiling. These were targeted against HER2 Kinase domain which potential receptor for cancer. Information regarding binding site residues predicted using CASTp server. Molecular docking performed kinase with top 3 hits reported least affinity target protein considered further interaction analysis Biovia Discovery studio visualizer. Upon analyzing interacted compounds, Piperine Wild have good by forming two hydrogen bonds score -8.3 k cal/mol. current study might guide designing analogues piperine evolution effective broad spectrum development therapy.

Language: Английский

Citations

0