Theoretical calculations of molecular descriptors for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against gastric cancer cell line (MGC-803): DFT, QSAR and docking approaches-Reference-Cited by-同舟云学术

Theoretical calculations of molecular descriptors for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against gastric cancer cell line (MGC-803): DFT, QSAR and docking approaches

Published:2020-05 Issue:5 Volume:6 Page:e03926
ISSN:2405-8440
Container-title:Heliyon
language:en
Short-container-title:Heliyon

Author:

Oyewole Rhoda Oyeladun,Oyebamiji Abel Kolawole,Semire Banjo^ORCID

Publisher

Elsevier BV

Subject

Multidisciplinary

Reference96 articles.

1. Novel benzimidazolee pyrimidine conjugates as potent antitumor agents;Abdel-Mohsen;Eur. J. Med. Chem.,2010

2. QSAR studies on derivatives of quinazoline-4(3H)-ones with anticonvulsant activities;Adedirin;J. Eng. Exact Sci JCEC,2018

3. Molecular docking studies of Lonchocarpus cyanescens triterpenoids as inhibitors for malaria;Adejoro;J. Phys. Chem. Biophys.,2016

4. Synthesis and antifungal activity of 1, 2, 3-triazole containing fluconazole analogues;Aher;Bioorg. Med. Chem. Lett.,2009

5. Metal-free and azide-free synthesis of 1,2,3-triazoles derivatives;Ahmed;Synth. Commun.,2017

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