[PDF][PDF] QSAR and molecular docking analysis of substituted tetraketone and benzyl-benzoate analogs as anti-tyrosine: a novel approach to anti-tyrosine kinase drug …
EI Edache, H Samuel, YI Sulyman, O Arinze, OI Ayine - Chem Res J, 2020 - chemrj.org
In this paper, an attempt was made to develop a quantitative structure-activity relationship
(QSAR) and molecular docking studies on a series of tetraketone and benzyl-benzoate …
(QSAR) and molecular docking studies on a series of tetraketone and benzyl-benzoate …
[HTML][HTML] Prediction of aquatic toxicity of energetic materials using genetic function approximation
SV Bondarchuk - FirePhysChem, 2023 - Elsevier
The first attempt to use genetic function approximation (GFA) for prediction of aquatic toxicity
of soluble energetic materials is reported in this paper. The prediction is based on the …
of soluble energetic materials is reported in this paper. The prediction is based on the …
2D-QSAR, 3D-QSAR, molecular docking, and molecular dynamics simulations in the probe of novel type I diabetes treatment
The 2D and 3D QSAR of 30 compounds with type 1 diabetes inhibitors has been studied by
using semi-empirical methods. The parametrization (PM6) method is employed as the basic …
using semi-empirical methods. The parametrization (PM6) method is employed as the basic …
[HTML][HTML] Design of some potent non-toxic autoimmune disorder inhibitors based on 2D-QSAR, CoMFA, molecular docking, and molecular dynamics investigations
Current clinical research suggests that inhibitors of protein arginine deiminase 4 (PAD4),
major histocompatibility complex (MHC) class II HLA-DQ-ALPHA chain, and thyrotropin …
major histocompatibility complex (MHC) class II HLA-DQ-ALPHA chain, and thyrotropin …
Insight parameter drug design for human β-tryptase inhibition integrated molecular docking, QSAR, molecular dynamics simulation, and pharmacophore modelling …
Dengue hemorrhagic fever (DHF) is severe dengue with a hallmark of vascular leakage. β-
tryptase has been found to promote vascular leakage in DHF patients, which could be a …
tryptase has been found to promote vascular leakage in DHF patients, which could be a …
[PDF][PDF] Tyrosine activity of some tetraketone and benzyl-benzoate derivatives based on genetic algorithm-multiple linear regression
A QSAR study is performed on the seriestetraketone and benzyl benzoate derivatives in
order to analyze the physicochemical requirements of tyrosinase inhibitors and to provide …
order to analyze the physicochemical requirements of tyrosinase inhibitors and to provide …
[PDF][PDF] International Journal of New Chemistry
ABSTRACT The 2D and 3D QSAR of 30 compounds with type 1 diabetes inhibitors has
been studied by using semi-empirical methods. The parametrization (PM6) method is …
been studied by using semi-empirical methods. The parametrization (PM6) method is …