DFT, ADMET, molecular docking and molecular dynamics studies of pyridoxal

Journal of the Indian Chemical Society - Tập 100 - Trang 100926 - 2023
Nadezhda A. Garkusha1, Oksana P. Anikeeva1, Imren Bayıl2, Tugba Taskin-Tok2,3, Damir A. Safin1,4
1University of Tyumen, Volodarskogo Str. 6, 625003, Tyumen, Russian Federation
2University of Gaziantep, Department of Bioinformatics and Computational Biology, Institute of Health Sciences, 27310, Gaziantep, Turkey
3University of Gaziantep, Department of Chemistry, Faculty of Arts and Sciences, 27310, Gaziantep, Turkey
4Scientific and Educational and Innovation Center for Chemical and Pharmaceutical Technologies, Ural Federal University Named After the First President of Russia B.N. Yeltsin, Ekaterinburg 620002, Russian Federation