Computational design of quinoxaline molecules as VEGFR-2 inhibitors: QSAR modelling, pharmacokinetics, molecular docking, and dynamics simulation studies

Author:

Abdullahi Sagiru Hamza,Uzairu Adamu,Danazumi Ammar Usman,Finbarrs-Bello Elizabeth,Umar Abdullahi Bello,Shallangwa Gideon Adamu,Uba Sani

Publisher

Elsevier BV

Subject

Agronomy and Crop Science,Applied Microbiology and Biotechnology,Bioengineering,Food Science,Biotechnology

Reference34 articles.

1. Chemo-informatics activity prediction, ligand based drug design, Molecular docking and pharmacokinetics studies of some series of 4, 6- diaryl-2-pyrimidinamine derivatives as anti-cancer agents;Abdullahi;Bull. Natl. Res. Cent.,2021

2. Molecular docking, ADMET and pharmacokinetic properties predictions of some di-aryl pyridinamine derivatives as estrogen receptor (Er+) kinase inhibitors;Abdullahi;Egyp J Basic ApplSci,2022

3. In-silico activity prediction, structure-based drug design, molecular docking and pharmacokinetic studies of selected quinazoline derivatives for their antiproliferative activity against triple negative breast cancer (MDA-MB231) cell line;Abdullahi;Bull. Natl. Res. Cent.,2022

4. Structure based design of some novel 3- methylquinoxaline derivatives through molecular docking and pharmacokinetics studies as novel VEGFR-2 inhibitors;Abdullahi;Chemistry Africa,2022

5. Computational modeling, ligand–based drug design, drug–likeness and ADMET properties studies of series of chromen–2–ones analogues as anti–cancer agents;Abdullahi;Bull. Natl. Res. Cent.,2022

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