Novel tyrosinase inhibitors from natural resources–their computational studies
M TH Khan - Current medicinal chemistry, 2012 - ingentaconnect.com
Tyrosinase is a multi-copper enzyme widely distributed in different organisms, including
plants & mammals, etc., which is responsible for pigmentations, undesired browning of fruits …
plants & mammals, etc., which is responsible for pigmentations, undesired browning of fruits …
The Modern Use of an Ancient Plant: Exploring the Antioxidant and Nutraceutical Potential of the Maltese Mushroom (Cynomorium Coccineum L.)
In the continuous scientific search for new safe and effective drugs, there has recently been
a rediscovery of natural substances as a potential reservoir of innovative therapeutic …
a rediscovery of natural substances as a potential reservoir of innovative therapeutic …
Comparative study to predict toxic modes of action of phenols from molecular structures
Y Brito-Sánchez, JA Castillo-Garit… - SAR and QSAR in …, 2013 - Taylor & Francis
Quantitative structure–activity relationship models for the prediction of mode of toxic action
(MOA) of 221 phenols to the ciliated protozoan Tetrahymena pyriformis using atom-based …
(MOA) of 221 phenols to the ciliated protozoan Tetrahymena pyriformis using atom-based …
Isolation and characterization of polyphenol oxidase from Sardinian poisonous and non-poisonous chemotypes of Ferula communis (L.)
Ferula communis (L.), a plant belonging to Apiaceae, is widely present in Sardinia, Italy.
Currently, interest in F. communis focuses on the presence of two chemotypes in the wild …
Currently, interest in F. communis focuses on the presence of two chemotypes in the wild …
Multi-output model with box-jenkins operators of quadratic indices for prediction of malaria and cancer inhibitors targeting ubiquitin-proteasome pathway (upp) …
GM Casañola-Martin, H Le-Thi-Thu… - Current Protein and …, 2016 - ingentaconnect.com
The ubiquitin-proteasome pathway (UPP) is the primary degradation system of short-lived
regulatory proteins. Cellular processes such as the cell cycle, signal transduction, gene …
regulatory proteins. Cellular processes such as the cell cycle, signal transduction, gene …
Exploring different strategies for imbalanced ADME data problem: case study on Caco-2 permeability modeling
H Pham-The, G Casañola-Martin, T Garrigues… - Molecular …, 2016 - Springer
In many absorption, distribution, metabolism, and excretion (ADME) modeling problems,
imbalanced data could negatively affect classification performance of machine learning …
imbalanced data could negatively affect classification performance of machine learning …
A comparative study of nonlinear machine learning for the “in silico” depiction of tyrosinase inhibitory activity from molecular structure
H Le‐Thi‐Thu, Y Marrero‐Ponce… - Molecular …, 2011 - Wiley Online Library
In the preset report, for the first time, support vector machine (SVM), artificial neural network
(ANN), Bayesian networks (BNs), k‐nearest neighbor (k‐NN) are applied and compared on …
(ANN), Bayesian networks (BNs), k‐nearest neighbor (k‐NN) are applied and compared on …
A rational workflow for sequential virtual screening of chemical libraries on searching for new tyrosinase inhibitors
H Le-Thi-Thu, GM Casanola-Martín… - Current Topics in …, 2014 - ingentaconnect.com
The tyrosinase is a bifunctional, copper-containing enzyme widely distributed in the
phylogenetic tree. This enzyme is involved in the production of melanin and some other …
phylogenetic tree. This enzyme is involved in the production of melanin and some other …
Learning from multiple classifier systems: Perspectives for improving decision making of QSAR models in medicinal chemistry
Quantitative Structure-Activity Relationship (QSAR) modeling has been widely used in
medicinal chemistry and computational toxicology for many years. Today, as the amount of …
medicinal chemistry and computational toxicology for many years. Today, as the amount of …
Computational studies of tyrosinase inhibitors
A Bonardi, P Gratteri - The Enzymes, 2024 - pubmed.ncbi.nlm.nih.gov
Computational studies have significantly advanced the understanding of tyrosinase (TYR)
function, mechanism, and inhibition, accelerating the development of more effective and …
function, mechanism, and inhibition, accelerating the development of more effective and …