In-silico activity prediction and docking studies of some 2, 9-disubstituted 8-phenylthio/phenylsulfinyl-9h-purine derivatives as Anti-proliferative agents

In-silico activity prediction and docking studies of some 2, 9-disubstituted 8-phenylthio/phenylsulfinyl-9h-purine derivatives as Anti-proliferative agents

In-silico activity prediction was performed to predict new inhibitory activities of 2, 9-disubstituted 8-phenylthio/phenylsulfinyl-9h-purine derivatives as anti-proliferative agents using QSAR technique. The anti-proliferative agents were optimized using Density Functional Theory (DFT) method utiliz...

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Bibliographic Details
Main Authors: Muhammad Tukur Ibrahim, Adamu Uzairu, Gideon Adamu Shallangwa, Sani Uba
Format: Article
Language:English
Published: Elsevier 2020-01-01
Series:Heliyon
Subjects:
Physical chemistry
Theoretical chemistry
NSCLC
DFT
B3LYP/6-31G*
EGFR
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844020300037

Internet

http://www.sciencedirect.com/science/article/pii/S2405844020300037

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