Revisiting methotrexate and phototrexate Zinc15 library-based derivatives using deep learning in-silico drug design approach

Revisiting methotrexate and phototrexate Zinc15 library-based derivatives using deep learning in-silico drug design approach

Introduction: Cancer is the second most prevalent cause of mortality in the world, despite the availability of several medications for cancer treatment. Therefore, the cancer research community emphasized on computational techniques to speed up the discovery of novel anticancer drugs.Methods: In the...

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Bibliographic Details
Main Authors: Farhan Siddique, Ahmar Anwaar, Maryam Bashir, Sumaira Nadeem, Ravi Rawat, Volkan Eyupoglu, Samina Afzal, Mehvish Bibi, Yousef A. Bin Jardan, Mohammed Bourhia
Format: Article
Language:English
Published: Frontiers Media S.A. 2024-03-01
Series:Frontiers in Chemistry
Subjects:
deep learning
QSAR
virtual screening
density function theory
molecular dynamics
dihydrofolate reductase
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2024.1380266/full

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https://www.frontiersin.org/articles/10.3389/fchem.2024.1380266/full

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