[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 …

[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 …

2D-QSAR, 3D-QSAR, molecular docking, and molecular dynamics simulations in the probe of novel type I diabetes treatment

EI Edache, A Uzairu, PA Mamza… - International Journal of …, 2022 - ijnc.ir
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 …

[HTML][HTML] Design of some potent non-toxic autoimmune disorder inhibitors based on 2D-QSAR, CoMFA, molecular docking, and molecular dynamics investigations

EI Edache, A Uzairu, PA Mamza, GA Shallangwa… - Intelligent …, 2024 - Elsevier
Current clinical research suggests that inhibitors of protein arginine deiminase 4 (PAD4),
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 …

CX Yu, JW Tan, K Rullah, S Imran… - Journal of Biomolecular …, 2023 - Taylor & Francis
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 …

[PDF][PDF] Tyrosine activity of some tetraketone and benzyl-benzoate derivatives based on genetic algorithm-multiple linear regression

EI Edache, DE Arthur, U Abdulfatai - 2017 - researchgate.net
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 …

[PDF][PDF] International Journal of New Chemistry

EI Edache, A Uzairu, PA Mamza… - Int. J. New …, 2022 - julistb.sinaweb.net
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 …