Past, present, and future perspectives on computer-aided drug design methodologies
The application of computational approaches in drug discovery has been consolidated in
the last decades. These families of techniques are usually grouped under the common …
the last decades. These families of techniques are usually grouped under the common …
Antiviral and Immunomodulatory Activities of Clinacanthus nutans (Burm. f.) Lindau
Clinacanthus nutans (Burm. f.) Lindau has been used as a traditional herbal medicine for
treating snake bites, scalds, burns, and viral and bacterial infections. It has been attracting …
treating snake bites, scalds, burns, and viral and bacterial infections. It has been attracting …
Molecular modeling unveils the effective interaction of B-RAF inhibitors with rare B-RAF insertion variants
MC Scaini, L Piccin, D Bassani, A Scapinello… - International Journal of …, 2023 - mdpi.com
The Food and Drug Administration (FDA) has approved MAPK inhibitors as a treatment for
melanoma patients carrying a mutation in codon V600 of the BRAF gene exclusively …
melanoma patients carrying a mutation in codon V600 of the BRAF gene exclusively …
“Dual Anta-Inhibitors” of the A2A Adenosine Receptor and Casein Kinase CK1delta: Synthesis, Biological Evaluation, and Molecular Modeling Studies
A Spinaci, M Buccioni, D Catarzi, C Cui, V Colotta… - Pharmaceuticals, 2023 - mdpi.com
Based on a screening of a chemical library of A2A adenosine receptor (AR) antagonists, a
series of di-and tri-substituted adenine derivatives were synthesized and tested for their …
series of di-and tri-substituted adenine derivatives were synthesized and tested for their …
Another string to your bow: machine learning prediction of the pharmacokinetic properties of small molecules
Introduction Prediction of pharmacokinetic (PK) properties is crucial for drug discovery and
development. Machine-learning (ML) models, which use statistical pattern recognition to …
development. Machine-learning (ML) models, which use statistical pattern recognition to …
{\textquotedblleft} Dual Anta-Inhibitors {\textquotedblright} of the A2A Adenosine Receptor and Casein Kinase {CK} 1delta: Synthesis, Biological Evaluation, and …
S Andrea, B Michela, C Daniela, C Chang… - …, 2023 - research.unipd.it
Based on a screening of a chemical library of A2A adenosine receptor (AR) antagonists, a
series of di-and tri-substituted adenine derivatives were synthesized and tested for their …
series of di-and tri-substituted adenine derivatives were synthesized and tested for their …
In Silico Insights Toward the Exploration of Adenosine Receptors Ligand Recognition
Adenosine receptors have been studied for many years now, their structures have been
resolved and many of the determinants for their interaction patterns have been highlighted …
resolved and many of the determinants for their interaction patterns have been highlighted …
Promising Targets and Strategies to Control Neuroinflammation (Part I)
S Federico, S Moro - Current Medicinal Chemistry, 2022 - ingentaconnect.com
Neuroinflammation is a condition in which inflammation occurs in the central nervous system
(CNS: brain and spinal cord), leading to the activation of microglia and astrocytes. Its role in …
(CNS: brain and spinal cord), leading to the activation of microglia and astrocytes. Its role in …