Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis - Wikidata - wikimedia - TriplyDB

Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis

Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis

http://www.wikidata.org/entity/Q28475676

about

Chapter 7: Pharmacogenomics Delineation of Polypharmacology across the Human Structural Kinome Using a Functional Site Interaction Fingerprint Approach Translational bioinformatics: linking the molecular world to the clinical world PREDICT: a method for inferring novel drug indications with application to personalized medicine New target prediction and visualization tools incorporating open source molecular fingerprints for TB Mobile 2.0 Calculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pockets Raloxifene attenuates Pseudomonas aeruginosa pyocyanin production and virulence A machine learning-based method to improve docking scoring functions and its application to drug repurposing Binding of protein kinase inhibitors to synapsin I inferred from pair-wise binding site similarity measurements Drug off-target effects predicted using structural analysis in the context of a metabolic network model The Mycobacterium tuberculosis drugome and its polypharmacological implications A computational approach to finding novel targets for existing drugs Drug discovery using chemical systems biology: weak inhibition of multiple kinases may contribute to the anti-cancer effect of nelfinavir Assessing drug target association using semantic linked data A global comparison of the human and T. brucei degradomes gives insights about possible parasite drug targets Drug repositioning by kernel-based integration of molecular structure, molecular activity, and phenotype data Open-source approaches for the repurposing of existing or failed candidate drugs: learning from and applying the lessons across diseases Memantine, an antagonist of the NMDA glutamate receptor, affects cell proliferation, differentiation and the intracellular cycle and induces apoptosis in Trypanosoma cruzi Neighborhood Regularized Logistic Matrix Factorization for Drug-Target Interaction Prediction Large-Scale Off-Target Identification Using Fast and Accurate Dual Regularized One-Class Collaborative Filtering and Its Application to Drug Repurposing Knowledge Discovery from Biomedical Ontologies in Cross Domains Achievements and challenges in structural bioinformatics and computational biophysics A miRNA-driven inference model to construct potential drug-disease associations for drug repositioning Improved genome-scale multi-target virtual screening via a novel collaborative filtering approach to cold-start problem.Harnessing Big Data for Systems Pharmacology ProBiS-ligands: a web server for prediction of ligands by examination of protein binding sites.SMAP-WS: a parallel web service for structural proteome-wide ligand-binding site comparison.Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction.Investigating the Importance of the Pocket-estimation Method in Pocket-based Approaches: An Illustration Using Pocket-ligand Classification.Drug discovery and the use of computational approaches for infectious diseases.Space-related pharma-motifs for fast search of protein binding motifs and polypharmacological targets.Computational drug repositioning: from data to therapeutics.IDEA: Integrated Drug Expression Analysis-Integration of Gene Expression and Clinical Data for the Identification of Therapeutic Candidates.Providing data science support for systems pharmacology and its implications to drug discovery Toward better drug repositioning: prioritizing and integrating existing methods into efficient pipelines.Towards building a disease-phenotype knowledge base: extracting disease-manifestation relationship from literature.Computational discovery and experimental verification of tyrosine kinase inhibitor pazopanib for the reversal of memory and cognitive deficits in rat model neurodegeneration.Molecular mechanisms involved in the side effects of fatty acid amide hydrolase inhibitors: a structural phenomics approach to proteome-wide cellular off-target deconvolution and disease association.Discovery and preclinical validation of drug indications using compendia of public gene expression data.PESDserv: a server for high-throughput comparison of protein binding site surfaces.

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Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis

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2009年の論文

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Nancy Buchmeier

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Nina Liu

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Sarah L Kinnings

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P2860

DrugBank: a comprehensive resource for in silico drug discovery and exploration

The Protein Data Bank

Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

The isoniazid-NAD adduct is a slow, tight-binding inhibitor of InhA, the Mycobacterium tuberculosis enoyl reductase: adduct affinity and drug resistance

Mechanism of thioamide drug action against tuberculosis and leprosy

The RCSB Protein Data Bank: a redesigned query system and relational database based on the mmCIF schema

Crystal structure of the Mycobacterium tuberculosis enoyl-ACP reductase, InhA, in complex with NAD+ and a C16 fatty acyl substrate

Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI)

Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data

Indole naphthyridinones as inhibitors of bacterial enoyl-ACP reductases FabI and FabK

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10.1371/JOURNAL.PCBI.1000423

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Akafuba bulwadde

multiple drug resistance

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