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In-Silico Investigation: Opening Doors to Novel Thymidylate Synthase Inhibitors

Author(s):

Sheenu Mittal, Ankit Gupta, Monika, Richa, Renu Chadha and Neelima Dhingra*   Pages 1 - 14 ( 14 )

Abstract:


Lung cancer is presumed to be the most notable cause of morbidity and impermanency in human beings caused by uncontrolled cell proliferation of lung tissue which results in abrupt synthesis of DNA. Thus, prevention of DNA synthesis can show distinctive effect on lung cancer by utilizing Thymidylate synthase (TS), a key rate-limiting enzyme in the DNA synthesis process. However, the available finite aggregate of clinically approved blockers and their corresponding side effects lead to the urgent origination of novel inhibitors. In silico approaches (QSAR and molecular docking) have been accomplished to discover new potential inhibitors of TS providing a new strategy to evolve novel thymidylate synthase inhibitors functional in lung cancer.

Keywords:

Thymidylate synthase inhibitors, Lung cancer, Docking, QSAR, kNN‒SW

Affiliation:

University Institute of Pharmaceutical Sciences, Panjab University, Chandigarh, University Institute of Pharmaceutical Sciences, Panjab University, Chandigarh, University Institute of Pharmaceutical Sciences, Panjab University, Chandigarh, University Institute of Pharmaceutical Sciences, Panjab University, Chandigarh, University Institute of Pharmaceutical Sciences, Panjab University, Chandigarh, University Institute of Pharmaceutical Sciences, Panjab University, Chandigarh



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