[HTML][HTML] Theoretical investigation of the cooperation of iminoguanidine with the enzymes-binding domain of covid-19 and bacterial lysozyme inhibitors and their …
The investigation for innovative treatments for Pseudomonas aeruginosa and SARS-CoV-2
is a burgeoning field. Even though scientists and pharmaceutical companies have made …
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
ABSTRACT 3D-QSAR, comparative molecular field analysis-smart region description (SRD)
and fractional factorial design (FFD)(CoMFA-FFD), and comparative molecular field analysis …
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 …
In the Gram-negative pathogen Yersinia pseudotuberculosis and Chlamydia, the aggregate
use of molecular docking, molecular dynamic simulations, and ADMET was successfully …
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 …
Bacterial inhibitor compounds with new manners of action are wanted for managing
bacterial infections. Yersinia pseudotuberculosis and Chlamydia trachomatis infections …
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
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 …
Investigation of salicylidene acylhydrazides derivatives: Molecular Docking, ADMET, and Molecular Dynamic Simulations were used in conjunction towards the design …
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 …
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 …
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 …
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 …
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 …
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 …
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
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 …
effective treatment plan. A broad category of illnesses known as autoimmune disorders is …