[HTML][HTML] Theoretical investigation of the cooperation of iminoguanidine with the enzymes-binding domain of covid-19 and bacterial lysozyme inhibitors and their …

EI Edache, A Uzairu, PA Mamza… - Journal of the Mexican …, 2022 - scielo.org.mx
The investigation for innovative treatments for Pseudomonas aeruginosa and SARS-CoV-2
is a burgeoning field. Even though scientists and pharmaceutical companies have made …

[PDF][PDF] 3D-QSAR, molecular docking, molecular dynamics simulations and structural studies of some selected inhibitors of the glycoprotein (GPC) of Lassa virus

EI Edache, HA Dawi, FA Ugbe - J Appl Organomet Chem, 2023 - sid.ir
ABSTRACT 3D-QSAR, comparative molecular field analysis-smart region description (SRD)
and fractional factorial design (FFD)(CoMFA-FFD), and comparative molecular field analysis …

Docking Simulations and Virtual Screening to find Novel Ligands for T3S in Yersinia pseudotuberculosis YPIII, A drug target for type III secretion (T3S) in the Gram …

EI Edache, U Adamu, PA Mamza… - Chemical Review and …, 2021 - chemrevlett.com
In the Gram-negative pathogen Yersinia pseudotuberculosis and Chlamydia, the aggregate
use of molecular docking, molecular dynamic simulations, and ADMET was successfully …

[PDF][PDF] Computational modeling and analysis of the theoretical structure of thiazolino 2-pyridone amide inhibitors for Yersinia pseudo-tuberculosis and Chlamydia …

EI Edache, A Uzairu, PA Mamza, GA Shallangwa - Bull Sci Res, 2022 - researchgate.net
Bacterial inhibitor compounds with new manners of action are wanted for managing
bacterial infections. Yersinia pseudotuberculosis and Chlamydia trachomatis infections …

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 …

Investigation of salicylidene acylhydrazides derivatives: Molecular Docking, ADMET, and Molecular Dynamic Simulations were used in conjunction towards the design …

E Edache, A Uzairu, PA Mamza… - Turkish Computational …, 2022 - dergipark.org.tr
LysR-type transcription factor RovM is an important target of Yersinia pseudotuberculosis
drug discovery and the discovery of antibacterial is considered one of the greatest medical …

[PDF][PDF] A 2D-QSAR, homology modeling, docking, ADMET, and molecular dynamics simulations studies for assessment of a novel SARS-Cov-2 and Pseudomonas …

EI Edache, A Uzairu, PA Mamza… - J Virol Viral Dis, 2022 - researchgate.net
Pseudomonas aeruginosa and SARS-CoV-2 are two of the world's most hazardous
diseases. Treatments that target the enzyme or protein could be more successful and …

[PDF][PDF] Antioxidant Profile and Antidiabetic Effect of Oryza sativa var. Pulu Mandoti “Local Golden Rice” from Enrekang (Indonesia): In Silico Approach.

A Masniawati, AZ Mustopa… - … Journal of Science, 2024 - philjournalsci.dost.gov.ph
Diabetes affects 537 million adults globally, with 19.47 million cases in Indonesia. It arises
from insufficient or ineffective insulin production, leading to complications like nephropathy …

DFT studies on structure, electronics, bonding nature, NBO analysis, thermodynamic properties, molecular docking, and MM-GBSA evaluation of 4-methyl-3-[2-(4 …

EI Edache, A Uzairu, PA Mamza… - Journal of Umm Al-Qura …, 2024 - Springer
A calculation analysis on the molecular structure and energy of 4-methyl-3-[2-(4-nitrophenyl)-
1, 3-dioxo-2, 3-dihydro-1 H-isoindole-5-amido] benzoic acid (COD30) is carried out with the …

[PDF][PDF] Computer-Aided Drug Design and Molecular Dynamic Simulations of Inhibitors of Some Autoimmune Disorder Therapeutic Targets

EI Edache, A Uzairu, PA Mamza… - … Chem. Biochem. Res, 2024 - researchgate.net
Any disease's etiology and molecular mechanism must be well understood to design an
effective treatment plan. A broad category of illnesses known as autoimmune disorders is …