Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review

P Csermely, T Korcsmáros, HJM Kiss, G London… - Pharmacology & …, 2013 - Elsevier
Despite considerable progress in genome-and proteome-based high-throughput screening
methods and in rational drug design, the increase in approved drugs in the past decade did …

In-Silico Approaches to Multi-target Drug Discovery: Computer Aided Multi-target Drug Design, Multi-target Virtual Screening

XH Ma, Z Shi, C Tan, Y Jiang, ML Go, BC Low… - Pharmaceutical …, 2010 - Springer
Multi-target drugs against selective multiple targets improve therapeutic efficacy, safety and
resistance profiles by collective regulations of a primary therapeutic target together with …

Computer aided drug design for multi-target drug design: SAR/QSAR, molecular docking and pharmacophore methods

A Abdolmaleki, JB Ghasemi, F Ghasemi - Current drug targets, 2017 - ingentaconnect.com
Multi-target drugs against particular multiple targets get better protection, resistance profiles
and curative influence by cooperative rules of a key beneficial target with resistance …

Unified QSAR approach to antimicrobials. Part 3: first multi-tasking QSAR model for input-coded prediction, structural back-projection, and complex networks …

FJ Prado-Prado, H González-Díaz… - Bioorganic & medicinal …, 2008 - Elsevier
Several pathogen parasite species show different susceptibilities to different antiparasite
drugs. Unfortunately, almost all structure-based methods are one-task or one-target …

Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species

FJ Prado-Prado, X García-Mera… - Bioorganic & medicinal …, 2010 - Elsevier
There are many of pathogen parasite species with different susceptibility profile to
antiparasitic drugs. Unfortunately, almost QSAR models predict the biological activity of …

Graphical representation of proteins

M Randic, J Zupan, AT Balaban, D Vikić-Topić… - Chemical …, 2011 - ACS Publications
This review article is, in a way, different from traditional review articles in that, besides being
informative and reporting on the past published work in the area of graphical representation …

Enabling the discovery and virtual screening of potent and safe antimicrobial peptides. Simultaneous prediction of antibacterial activity and cytotoxicity

VV Kleandrova, JM Ruso… - ACS combinatorial …, 2016 - ACS Publications
Antimicrobial peptides (AMPs) represent promising alternatives to fight against bacterial
pathogens. However, cellular toxicity remains one of the main concerns in the early …

Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach

H González-Díaz, F Prado-Prado… - Current topics in …, 2008 - ingentaconnect.com
The method MARCH-INSIDE (MARkovian CHemicals IN SIlico DEsign) is a simple but
efficient computational approach to the study of Quantitative Structure-Activity Relationships …

Predicting targeted polypharmacology for drug repositioning and multi-target drug discovery

X Liu, F Zhu, XH Ma, Z Shi, SY Yang… - Current medicinal …, 2013 - ingentaconnect.com
Prediction of polypharmacology of known drugs and new molecules against selected
multiple targets is highly useful for finding new therapeutic applications of existing drugs …

Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug–drug complex …

FJ Prado-Prado, OM de la Vega, E Uriarte… - Bioorganic & medicinal …, 2009 - Elsevier
One limitation of almost all antiviral Quantitative Structure–Activity Relationships (QSAR)
models is that they predict the biological activity of drugs against only one species of virus …