Discovery of multitarget inhibitors by combining molecular docking with common pharmacophore matching.
about
Computational methods in drug discoveryMulti-target drugs: the trend of drug research and developmentCore site-moiety maps reveal inhibitors and binding mechanisms of orthologous proteins by screening compound librariesMolecular dynamics simulation study and hybrid pharmacophore model development in human LTA4H inhibitor designAn innovative strategy for dual inhibitor design and its application in dual inhibition of human thymidylate synthase and dihydrofolate reductase enzymesLigand clouds around protein clouds: a scenario of ligand binding with intrinsically disordered proteinsHybrid dual aromatase-steroid sulfatase inhibitors with exquisite picomolar inhibitory activity.iDrug: a web-accessible and interactive drug discovery and design platform.Overview of recent drug discovery approaches for new generation leukotriene A4 hydrolase inhibitors.The discovery of potential acetylcholinesterase inhibitors: a combination of pharmacophore modeling, virtual screening, and molecular docking studies.Inhibition of secreted phospholipases A₂ by 2-oxoamides based on α-amino acids: Synthesis, in vitro evaluation and molecular docking calculations.Synthesis, docking and biological activities of novel hybrids celecoxib and anthraquinone analogs as potent cytotoxic agents.Discovery of novel inhibitors of human S-adenosylmethionine decarboxylase based on in silico high-throughput screening and a non-radioactive enzymatic assay.Application of GQSAR for Scaffold Hopping and Lead Optimization in Multitarget Inhibitors.Synthesis and structure-activity relationship studies of derivatives of the dual aromatase-sulfatase inhibitor 4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamateCombination of pharmacophore hypothesis, genetic function approximation model, and molecular docking to identify novel inhibitors of S6K1Inhibitors of the arachidonic acid cascade: interfering with multiple pathways.Multiple target-centric strategy to tame inflammation.Identification of dual kinase inhibitors of CK2 and GSK3β: combined qualitative and quantitative pharmacophore modeling approach.Chinese Herbal Medicine Meets Biological Networks of Complex Diseases: A Computational Perspective.Dual-target virtual screening by pharmacophore elucidation and molecular shape filtering.Structure-Based Pharmacophores for Virtual Screening.Design, Synthesis, and Optimization of Balanced Dual NK1/NK3 Receptor AntagonistsUnderstanding molecular mechanisms of traditional Chinese medicine for the treatment of influenza viruses infection by computational approaches.Heterobivalent agents targeting PSMA and integrin-αvβ3.Understanding traditional Chinese medicine anti-inflammatory herbal formulae by simulating their regulatory functions in the human arachidonic acid metabolic network.Virtual screening and biological evaluation of biofilm inhibitors on dual targets in quorum sensing system.Ligand-based Modeling for the Prediction of Pharmacophore Features for Multi-targeted Inhibition of the Arachidonic Acid Cascade.Design and synthesis of novel dual-action compounds targeting the adenosine A(2A) receptor and adenosine transporter for neuroprotection.
P2860
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P2860
Discovery of multitarget inhibitors by combining molecular docking with common pharmacophore matching.
description
2008 nî lūn-bûn
@nan
2008 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
Discovery of multitarget inhib ...... common pharmacophore matching.
@ast
Discovery of multitarget inhib ...... common pharmacophore matching.
@en
type
label
Discovery of multitarget inhib ...... common pharmacophore matching.
@ast
Discovery of multitarget inhib ...... common pharmacophore matching.
@en
prefLabel
Discovery of multitarget inhib ...... common pharmacophore matching.
@ast
Discovery of multitarget inhib ...... common pharmacophore matching.
@en
P2093
P356
P1476
Discovery of multitarget inhib ...... common pharmacophore matching.
@en
P2093
Dengguo Wei
Jianfeng Pei
Xiaolu Jiang
Zheng Chen
P304
P356
10.1021/JM8010096
P407
P50
P577
2008-12-01T00:00:00Z