A Computational Method for the Binding Mode Prediction of COX-1 and COX-2 Inhibitors: Analyzing the Union of Coxibs, Oxicams, Propionic and Acetic Acids
E Bello-Vargas, MA Leyva-Peralta, Z Gómez-Sandoval… - Pharmaceuticals, 2023 - mdpi.com
Among the biological targets extensively investigated to improve inflammation and chronic
inflammatory conditions, cyclooxygenase enzymes (COXs) occupy a prominent position …
inflammatory conditions, cyclooxygenase enzymes (COXs) occupy a prominent position …
Machine-learning model predicts interaction with γ-amino butyric acid (GABA) ergic neurotransmission
SJ Wijeyesakere, D Wilson, T Auernhammer… - Applied In Vitro …, 2022 - liebertpub.com
Introduction: We are develo** computational models for basic nervous system pathways
for use in toxicology, pharmacology, and medicine. γ-Amino butyric acid (GABA) is the major …
for use in toxicology, pharmacology, and medicine. γ-Amino butyric acid (GABA) is the major …
1, 5-Disubstituted-1, 2, 3-Triazoles as GABA analogues: Synthesis, QSAR and biological evaluation as Pseudomonas fluorescens GABA-AT inhibitors
We report the synthesis of a new series of γ-aminobutyric acid (GABA) analogues as
possible GABA-AT inhibitors, where the nitrogen at the Ƴ-position is contained in a 1, 5 …
possible GABA-AT inhibitors, where the nitrogen at the Ƴ-position is contained in a 1, 5 …
Evaluation of the Usefulness of Topological Indices for Predicting Selected Physicochemical Properties of Bioactive Substances with Anti-Androgenic and …
D Wardecki, M Dołowy, K Bober-Majnusz - Molecules, 2023 - mdpi.com
Due to the observed increase in the importance of computational methods in determining
selected physicochemical parameters of biologically active compounds that are key to …
selected physicochemical parameters of biologically active compounds that are key to …
Pharmacophore modeling and 3D-QSAR study of indole and isatin derivatives as antiamyloidogenic agents targeting Alzheimer's disease
Thirty-six novel indole-containing compounds, mainly 3-(2-phenylhydrazono) isatins and
structurally related 1 H-indole-3-carbaldehyde derivatives, were synthesized and assayed …
structurally related 1 H-indole-3-carbaldehyde derivatives, were synthesized and assayed …
1,4‐Disubstituted‐1,2,3‐triazole GABA Analogues: Synthesis, In Vitro Evaluation, Quantum QSAR and Molecular Docking against Pseudomonas fluorescens GABA …
We report the synthesis of a new series of γ‐aminobutyric acid (GABA) analogues where the
nitrogen at the ɣ‐position is contained in a 1, 4‐disubstituted‐1, 2, 3‐triazole ring system …
nitrogen at the ɣ‐position is contained in a 1, 4‐disubstituted‐1, 2, 3‐triazole ring system …
INVESTIGATION OF CEREBROVASCULAR ACTIVITY OF NEW GABA-DERIVED SHORT PEPTIDES.
A NH, S QM, Z AG, T HV, B MG - New Armenian Medical …, 2022 - search.ebscohost.com
Based on the important role of endogenous substances in the cerebral blood flow
regulation, the cerebrovascular activity of new synthesized short peptides of γ-aminobutyric …
regulation, the cerebrovascular activity of new synthesized short peptides of γ-aminobutyric …
Preparación de lactamas α, γ-sustituidas con alta pureza óptica
RO Salazar Martínez - 2023 - riaa.uaem.mx
Lleno de regocijo, de amor y esperanza, dedico este proyecto a cada uno de mis seres
queridos, quienes han sido mis pilares para seguir adelante. Es para mi una gran …
queridos, quienes han sido mis pilares para seguir adelante. Es para mi una gran …
Síntesis estereoselectiva de análogos de gaba
JU Sánchez Morales - 2023 - riaa.uaem.mx
Para que se lleven a cabo las funciones normales del sistema nervioso central y la actividad
neuronal es necesario un equilibrio de excitación e inhibición de las neuronas. El ácido γ …
neuronal es necesario un equilibrio de excitación e inhibición de las neuronas. El ácido γ …
Diseño in silico de análogos de baclofeno como potenciales agonistas del receptor GABAв
AB LABASTIDA - 2022 - riaa.uaem.mx
1.1 Neurotransmisión El funcionamiento normal del sistema nervioso central (SNC) procede
a través del control y comunicación que reciben y envían células cerebrales, denominadas …
a través del control y comunicación que reciben y envían células cerebrales, denominadas …