Computational Identification of Druggable Bioactive Compounds from <i>Catharanthus roseus</i> and <i>Avicennia marina</i> against Colorectal Cancer by Targeting Thymidylate Synthase

Computational Identification of Druggable Bioactive Compounds from <i>Catharanthus roseus</i> and <i>Avicennia marina</i> against Colorectal Cancer by Targeting Thymidylate Synthase

Colorectal cancer (CRC) is the second most common cause of death worldwide, affecting approximately 1.9 million individuals in 2020. Therapeutics of the disease are not yet available and discovering a novel anticancer drug candidate against the disease is an urgent need. Thymidylate synthase (TS) is...

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Bibliographic Details
Main Authors: Md Rashedul Islam, Md Abdul Awal, Ahmed Khames, Mohammad A. S. Abourehab, Abdus Samad, Walid M. I. Hassan, Rahat Alam, Osman I. Osman, Suza Mohammad Nur, Mohammad Habibur Rahman Molla, Abdulrasheed O. Abdulrahman, Sultana Rajia, Foysal Ahammad, Md Nazmul Hasan, Ishtiaq Qadri, Bonglee Kim
Format: Article
Language:English
Published: MDPI AG 2022-03-01
Series:Molecules
Subjects:
thymidylate synthase
colorectal cancer
molecular docking
ADME
DFT
molecular dynamics simulation
Online Access:https://www.mdpi.com/1420-3049/27/7/2089

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