Alpha‐Glucosidase Inhibition, Antioxidant Activities, and Molecular Docking Study of Krom Luang Chumphon Khet Udomsak, a Thai Traditional Remedy
Krom Luang Chumphon Khet Udomsak remedy (KKR) has traditionally been used as an
alternative treatment, particularly for hyperglycemia; however, its therapeutic efficacy has not …
alternative treatment, particularly for hyperglycemia; however, its therapeutic efficacy has not …
Using Short Molecular Dynamics Simulations to Determine the Important Features of Interactions in Antibody–Protein Complexes
AC Richard, RJ Pantazes - Proteins: Structure, Function, and …, 2024 - Wiley Online Library
The last few years have seen the rapid proliferation of machine learning methods to design
binding proteins. Although these methods have shown large increases in experimental …
binding proteins. Although these methods have shown large increases in experimental …
[PDF][PDF] Application of Molecular Docking and Drug-Likeness Prediction for the Discovery of New Antidiabetic Agents
Type 2 diabetes is a major public health problem worldwide. Current World Health
Organization statistics indicate that this disease will affect 642 million people by the year …
Organization statistics indicate that this disease will affect 642 million people by the year …
Network Pharmacology and Docking of Nephrolepis cordifolia as Type-2 Antidiabetic Agent.
Type 2 diabetes mellitus (T2DM) is a chronic disease characterized by disturbances in
insulin secretion or action. Impaired insulin secretion causes blood glucose to increase …
insulin secretion or action. Impaired insulin secretion causes blood glucose to increase …
[PDF][PDF] Molecular modelling and machine learning for the investigation of 2-oxazolidinone ribosomal antibacterials
MK Buckley - 2023 - eprints.qut.edu.au
This thesis by publication compares computational methods to analyze an untested dataset
of oxazolidinones, a type of antibacterials that target ribosomes. The study evaluates …
of oxazolidinones, a type of antibacterials that target ribosomes. The study evaluates …
Docking-based Virtual Screening for the Discovery of RNA-targeting Molecules: Identification of Selective Riboswitch Binding Ligands
We present herein one of the very first applications of molecular docking towards the
discovery of novel RNA-targeting molecules. Our in-house docking program FITTED was …
discovery of novel RNA-targeting molecules. Our in-house docking program FITTED was …
[PDF][PDF] ВИКОРИСТАННЯ МЕТОДІВ ДОСЛІДЖЕНЬ IN SILICO ДЛЯ ПРОГНОЗУВАННЯ ФАРМАКОКІНЕТИЧНИХ ВЛАСТИВОСТЕЙ ТА ПОШУКУ БІОЛОГІЧНО …
OH Zahrychuk, UO Matyashchuk… - Фармацевтичний …, 2024 - ojs.tdmu.edu.ua
АНОТАЦІЯ Мета роботи. Здійснити огляд й проаналізувати комп'ютерні програми,
програмні пакети та бази даних, які доцільно використати для проведення досліджень …
програмні пакети та бази даних, які доцільно використати для проведення досліджень …
Identification of potent indolizine derivatives against Mycobacterial tuberculosis: In vitro anti-TB properties, in silico target validation, molecular docking and dynamics …
KN Venugopala, S Chandrashekharappa… - International Journal of …, 2024 - Elsevier
In the current study, two sets of compounds:(E)-1-(2-(4-substitutedphenyl)-2-oxoethyl)-4-
((hydroxyimino) methyl) pyridinium derivatives (3a-3e); and (E)-3-(substitutedbenzoyl)-7 …
((hydroxyimino) methyl) pyridinium derivatives (3a-3e); and (E)-3-(substitutedbenzoyl)-7 …