Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review
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 …
methods and in rational drug design, the increase in approved drugs in the past decade did …
A review of connectivity map and computational approaches in pharmacogenomics
Large-scale perturbation databases, such as Connectivity Map (CMap) or Library of
Integrated Network-based Cellular Signatures (LINCS), provide enormous opportunities for …
Integrated Network-based Cellular Signatures (LINCS), provide enormous opportunities for …
Large-scale prediction and testing of drug activity on side-effect targets
Discovering the unintended 'off-targets' that predict adverse drug reactions is daunting by
empirical methods alone. Drugs can act on several protein targets, some of which can be …
empirical methods alone. Drugs can act on several protein targets, some of which can be …
Drug-induced adverse events prediction with the LINCS L1000 data
Abstract Motivation: Adverse drug reactions (ADRs) are a central consideration during drug
development. Here we present a machine learning classifier to prioritize ADRs for approved …
development. Here we present a machine learning classifier to prioritize ADRs for approved …
Virtual screening, Docking, ADMET and System Pharmacology studies on Garcinia caged Xanthone derivatives for Anticancer activity
Caged xanthones are bioactive compounds mainly derived from the Garcinia genus. In this
study, a structure-activity relationship (SAR) of caged xanthones and their derivatives for …
study, a structure-activity relationship (SAR) of caged xanthones and their derivatives for …
Systems biology analysis of drivers underlying hallmarks of cancer cell metabolism
Malignant transformation is often accompanied by significant metabolic changes. To identify
drivers underlying these changes, we calculated metabolic flux states for the NCI60 cell line …
drivers underlying these changes, we calculated metabolic flux states for the NCI60 cell line …
Network-based technologies for early drug discovery
Highlights•The reductionist drug discovery approach entails high attrition rates.•Topology-
based pathway analysis can unravel the disease mechanism (s).•Candidate targets can be …
based pathway analysis can unravel the disease mechanism (s).•Candidate targets can be …
A molecular modeling approach to identify potential antileishmanial compounds against the cell division cycle (Cdc)-2-related kinase 12 (crk12) receptor of leishmania …
The huge burden of leishmaniasis caused by the trypanosomatid protozoan parasite
Leishmania is well known. This illness was included in the list of neglected tropical diseases …
Leishmania is well known. This illness was included in the list of neglected tropical diseases …
Moliere: Automatic biomedical hypothesis generation system
Hypothesis generation is becoming a crucial time-saving technique which allows biomedical
researchers to quickly discover implicit connections between important concepts. Typically …
researchers to quickly discover implicit connections between important concepts. Typically …
Data-driven approach to detect and predict adverse drug reactions
Background: Many factors that directly or indirectly cause adverse drug reaction (ADRs)
varying from pharmacological, immunological and genetic factors to ethnic, age, gender …
varying from pharmacological, immunological and genetic factors to ethnic, age, gender …