Results 181 to 190 of about 26,166,385 (205)
Some of the next articles are maybe not open access.
Discovery of New Inhibitors of Schistosoma mansoni PNP by Pharmacophore-Based Virtual Screening
Journal of Chemical Information and Modeling, 2010Schistosomiasis is considered the second most important tropical parasitic disease, with severe socioeconomic consequences for millions of people worldwide. Schistosoma mansoni , one of the causative agents of human schistosomiasis, is unable to synthesize purine nucleotides de novo, which makes the enzymes of the purine salvage pathway important ...
Matheus P. Postigo +6 more
openaire +3 more sources
Journal of Chemical Information and Modeling, 2013
Acetylcholinesterase (AChE) is a main drug target, and its inhibitors have demonstrated functionality in the symptomatic treatment of Alzheimer's disease (AD). In this study, a series of novel AChE inhibitors were designed and their inhibitory activity was evaluated with 2D quantitative structure-activity relationship (QSAR) studies using a training ...
Koteswara Rao Valasani +3 more
openaire +3 more sources
Acetylcholinesterase (AChE) is a main drug target, and its inhibitors have demonstrated functionality in the symptomatic treatment of Alzheimer's disease (AD). In this study, a series of novel AChE inhibitors were designed and their inhibitory activity was evaluated with 2D quantitative structure-activity relationship (QSAR) studies using a training ...
Koteswara Rao Valasani +3 more
openaire +3 more sources
An Evolutionary Approach with Pharmacophore-Based Scoring Functions for Virtual Database Screening
2004We have developed a new tool for virtual database screening. This tool, referred to as the Generic Evolutionary Method for molecular DOCKing (GEMDOCK), combines an evolutionary approach and a new pharmacophore-based scoring function. The former integrates discrete and continuous global search strategies with local search strategies to speed up ...
Jinn-Moon Yang +3 more
openaire +2 more sources
Molecular Informatics, 2019
AbstractMelanogenesis controls the formation of melanin pigment whose overproduction is related to various hyperpigmentary disorders in humans. Tyrosinase is a type‐3 copper enzyme involved in the rate limiting step of melanin synthesis, therefore its inhibition could represent an efficient way for the development of depigmenting agents.
Vittorio S. +9 more
openaire +3 more sources
AbstractMelanogenesis controls the formation of melanin pigment whose overproduction is related to various hyperpigmentary disorders in humans. Tyrosinase is a type‐3 copper enzyme involved in the rate limiting step of melanin synthesis, therefore its inhibition could represent an efficient way for the development of depigmenting agents.
Vittorio S. +9 more
openaire +3 more sources
ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors
Current Computer Aided-Drug Design, 2008In this paper we illustrate the application of the ISIDA (In SIlico design and Data Analysis) software to perform virtual screening of large databases of compounds and reactions and to assess some ADME/Tox properties. ISIDA represents an ensemble of tools allowing users to store, search and analyze the data, to perform similarity searches in large ...
Varnek, Alexandre +9 more
openaire +1 more source
[Virtual screening for natural CETP inhibitors by structure-based pharmacophore].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, 2016Cholesterol ester transfer protein (CETP) is a key regulator of high density lipoprotein (HDL). Owing to its important role in the reverse of cholesterol transport, CETP has become a hotspot target in modulating lipid drug design. In this paper, structure based pharmacophore (SBP) models for CETP inhibitors were built based on the protein structure ...
Xiao-qian, Huo +5 more
openaire +1 more source
Pharmacophore-based Virtual Screening in Drug Discovery
2008Christian Laggner +4 more
openaire +1 more source