Pharmacophore modeling in drug discovery and development: an overview
Pharmacophore mapping is one of the major elements of drug design in the absence of
structural data of the target receptor. The tool initially applied to discovery of lead molecules …
structural data of the target receptor. The tool initially applied to discovery of lead molecules …
Pharmacophore discovery-lessons learned
JH Van Drie - Current pharmaceutical design, 2003 - ingentaconnect.com
Pharmacophore discovery is one of the major elements of molecular modeling in the
absence of X-ray structural data. While pharmacophores initially made their debut as a …
absence of X-ray structural data. While pharmacophores initially made their debut as a …
History and evolution of the pharmacophore concept in computer-aided drug design
OF Guner - Current topics in medicinal chemistry, 2002 - ingentaconnect.com
With computer-aided drug design established as an integral part of the lead discovery and
optimization process, pharmacophores have become a focal point for conceptualizing and …
optimization process, pharmacophores have become a focal point for conceptualizing and …
Pharmacophore based drug design approach as a practical process in drug discovery
Q Gao, L Yang, Y Zhu - Current computer-aided drug design, 2010 - ingentaconnect.com
This review summarizes the background and updated progress of pharmacophore based
drug design and provides the fundamental approach strategies on both structure based and …
drug design and provides the fundamental approach strategies on both structure based and …
Pharmacophore modeling and applications in drug discovery: challenges and recent advances
SY Yang - Drug discovery today, 2010 - Elsevier
Pharmacophore approaches have become one of the major tools in drug discovery after the
past century's development. Various ligand-based and structure-based methods have been …
past century's development. Various ligand-based and structure-based methods have been …
Pharmacophore model generation software tools
K Poptodorov, T Luu… - Pharmacophores and …, 2006 - Wiley Online Library
Although the terms molecular alignment and superposition and pharmacophore elucidation
are often used interchangeably, it is probably more accurate to differentiate alignment as …
are often used interchangeably, it is probably more accurate to differentiate alignment as …
PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
SL Dixon, AM Smondyrev, EH Knoll, SN Rao… - Journal of computer …, 2006 - Springer
We introduce PHASE, a highly flexible system for common pharmacophore identification
and assessment, 3D QSAR model development, and 3D database creation and searching …
and assessment, 3D QSAR model development, and 3D database creation and searching …
The pharmacophore concept and its applications in computer-aided drug design
Pharmacophore-based techniques currently are an integral part of many computer-aided
drug design workflows and have been successfully and extensively applied for tasks such …
drug design workflows and have been successfully and extensively applied for tasks such …
Pharmacophore modeling: advances, limitations, and current utility in drug discovery
X Qing, X Yin Lee, J De Raeymaeker… - Journal of Receptor …, 2014 - Taylor & Francis
Pharmacophore modeling is a successful yet very diverse subfield of computer-aided drug
design. The concept of the pharmacophore has been widely applied to the rational design of …
design. The concept of the pharmacophore has been widely applied to the rational design of …
3-D pharmacophores in drug discovery
JS Mason, AC Good, EJ Martin - Current pharmaceutical …, 2001 - ingentaconnect.com
In this chapter we review the use of 3-D pharmacophores in drug discovery. Recent
advances are highlighted, including the application of pharmacophore descriptors …
advances are highlighted, including the application of pharmacophore descriptors …