Recent development and application of virtual screening in drug discovery: an overview.
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Applying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalizationSystems pharmacology uncovers Janus functions of botanical drugs: activation of host defense system and inhibition of influenza virus replication.Enrichment assessment of multiple virtual screening strategies for Toll-like receptor 8 agonists based on a maximal unbiased benchmarking data set.Recent advances in computer-aided drug design.Cinanserin is an inhibitor of the 3C-like proteinase of severe acute respiratory syndrome coronavirus and strongly reduces virus replication in vitroFrom laptop to benchtop to bedside: structure-based drug design on protein targets.A novel PI3K inhibitor PIK-C98 displays potent preclinical activity against multiple myelomaMolecular recognition in the case of flexible targets.Hit Identification of a Novel Dual Binder for h-telo/c-myc G-Quadruplex by a Combination of Pharmacophore Structure-Based Virtual Screening and Docking Refinement.Combining substrate dynamics, binding statistics, and energy barriers to rationalize regioselective hydroxylation of octane and lauric acid by CYP102A1 and mutantsComputer-aided drug discovery and development (CADDD): in silico-chemico-biological approach.Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines.Constructing and Validating High-Performance MIEC-SVM Models in Virtual Screening for Kinases: A Better Way for Actives Discovery.In silico discovery and in vitro activity of inhibitors against Mycobacterium tuberculosis 7,8-diaminopelargonic acid synthase (Mtb BioA).Pharmacophore-based virtual screening: a review of recent applications.In silico three-dimensional pharmacophores for aiding the discovery of the Pfmrk (Plasmodium cyclin-dependent protein kinases) specific inhibitors for the therapeutic treatment of malaria.Structure-based drug design for hypoxia-inducible factor prolyl-hydroxylase inhibitors and its therapeutic potential for the treatment of erythropoiesis-stimulating agent-resistant anemia: raising expectations for exploratory clinical trials.Discovery of novel inhibitors for human intestinal maltase: virtual screening in a WISDOM environment and in vitro evaluation.Lipoxygenase directed anti-inflammatory and anti-cancerous secondary metabolites: ADMET-based screening, molecular docking and dynamics simulation.DNA topoisomerase-directed anticancerous alkaloids: ADMET-based screening, molecular docking, and dynamics simulation.Dereplication: racing to speed up the natural products discovery process.Discovery of Rho-kinase inhibitors by docking-based virtual screening.In vitro evaluation of novel inhibitors against the NS2B-NS3 protease of dengue fever virus type 4.Discovery of a ROCK inhibitor, FPND, which prevents cerebral hemorrhage through maintaining vascular integrity by interference with VE-cadherin.Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking.In silico panning for a non-competitive peptide inhibitor.Discovery of novel phthalimide analogs: Synthesis, antimicrobial and antitubercular screening with molecular docking studies.FAF-Drugs: free ADME/tox filtering of compound collections.Amoebicidal activity of the rhizomes and aerial parts of Allium sivasicum on Entamoeba histolytica.The Blood-Brain Barrier Permeability of Six Indole Alkaloids from Uncariae Ramulus Cum Uncis in the MDCK-pHaMDR Cell Monolayer Model.Fragment virtual screening based on Bayesian categorization for discovering novel VEGFR-2 scaffolds.4SCan/vADME: intelligent library screening as a shortcut from hits to lead compounds.Introducing novel potent anticancer agents of 1H-benzo[f]chromene scaffolds, targeting c-Src kinase enzyme with MDA-MB-231 cell line anti-invasion effect.Combining ligand-based and structure-based drug design in the virtual screening arena
P2860
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P2860
Recent development and application of virtual screening in drug discovery: an overview.
description
2004 nî lūn-bûn
@nan
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
2004年论文
@zh
2004年论文
@zh-cn
name
Recent development and application of virtual screening in drug discovery: an overview.
@ast
Recent development and application of virtual screening in drug discovery: an overview.
@en
type
label
Recent development and application of virtual screening in drug discovery: an overview.
@ast
Recent development and application of virtual screening in drug discovery: an overview.
@en
prefLabel
Recent development and application of virtual screening in drug discovery: an overview.
@ast
Recent development and application of virtual screening in drug discovery: an overview.
@en
P356
P1476
Recent development and application of virtual screening in drug discovery: an overview.
@en
P2093
Xiaojie Xu
P304
P356
10.2174/1381612043452721
P50
P577
2004-01-01T00:00:00Z