Tubulin inhibitor identification by bioactive conformation alignment pharmacophore-guided virtual screening.

scientific article published on 6 April 2015

Tubulin inhibitor identification by bioactive conformation alignment pharmacophore-guided virtual screening. is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1111/CBDD.12568
P698PubMed publication ID25845798
P5875ResearchGate publication ID274572850

P50authorAe Nim PaeQ88413306
Sun-Joon MinQ42576130
P2093author name stringSoo Jin Kim
Yong Seo Cho
Min Jeong Choi
Gyochang Keum
Chang Sik Lee
Shanthi Nagarajan
P2860cites workMicrotubule damaging agents induce apoptosis in HL 60 cells and G2/M cell cycle arrest in HT 29 cellsQ44017862
Structural basis for the regulation of tubulin by vinblastineQ46511115
Identification of novel cannabinoid CB1 receptor antagonists by using virtual screening with a pharmacophore modelQ46685105
Synthesis and structure-activity relationships of 1,2,4-triazoles as a novel class of potent tubulin polymerization inhibitorsQ46731077
Impact of ligand protonation on virtual screening against beta-secretase (BACE1).Q46943882
Colchicine, a microtubule depolymerizing agent, inhibits myocardial apoptosis in ratsQ46965527
Antineoplastic agents. 291. Isolation and synthesis of combretastatins A-4, A-5, and A-6(1a)Q46974585
Tubulin as a target for anticancer drugs: agents which interact with the mitotic spindleQ47846165
ABT-751, a novel tubulin-binding agent, decreases tumor perfusion and disrupts tumor vasculature.Q47929063
Insight into tubulin regulation from a complex with colchicine and a stathmin-like domain.Q47967639
Identification of death-associated protein kinases inhibitors using structure-based virtual screeningQ48420648
Direct photoaffinity labeling of cysteine-295 of alpha-tubulin by guanosine 5'-triphosphate bound in the nonexchangeable siteQ48464655
Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.Q53678858
Ensemble docking into flexible active sites. Critical evaluation of FlexE against JNK-3 and beta-secretase.Q53746377
Rapid colorimetric assay for cellular growth and survival: Application to proliferation and cytotoxicity assaysQ25939005
Structural insight into the inhibition of tubulin by vinca domain peptide ligandsQ27652119
Variations in the colchicine-binding domain provide insight into the structural switch of tubulinQ27656945
An abundance of tubulinsQ28140643
Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engineQ28207735
Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracyQ28251042
Microtubule polymerization dynamicsQ28259930
Automatic identification and representation of protein binding sites for molecular dockingQ30426700
Discovery of 7-hydroxy-6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)benzo[b]furan (BNC105), a tubulin polymerization inhibitor with potent antiproliferative and tumor vascular disrupting propertiesQ31024172
LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filtersQ31143138
The computer program LUDI: a new method for the de novo design of enzyme inhibitorsQ33214112
Virtual screening for beta-secretase (BACE1) inhibitors reveals the importance of protonation states at Asp32 and Asp228.Q33215820
IKKbeta inhibitors identification part I: homology model assisted structure based virtual screeningQ33418135
Discovery of mitogen-activated protein kinase-interacting kinase 1 inhibitors by a comprehensive fragment-oriented virtual screening approach.Q33665113
Microtubulin binding sites as target for developing anticancer agents.Q34373430
Microtubule inhibitors: Differentiating tubulin-inhibiting agents based on mechanisms of action, clinical activity, and resistanceQ34996744
Selective, covalent modification of beta-tubulin residue Cys-239 by T138067, an antitumor agent with in vivo efficacy against multidrug-resistant tumorsQ36365126
Mechanisms of multidrug resistance: the potential role of microtubule-stabilizing agentsQ36893330
Synthesis and biological evaluation of 2-(3',4',5'-trimethoxybenzoyl)-3-N,N-dimethylamino benzo[b]furan derivatives as inhibitors of tubulin polymerization.Q36952871
Synthesis and biological evaluation of 2-amino-3-(3',4',5'-trimethoxybenzoyl)-6-substituted-4,5,6,7-tetrahydrothieno[2,3-c]pyridine derivatives as antimitotic agents and inhibitors of tubulin polymerizationQ37021662
2-Arylamino-4-amino-5-aroylthiazoles. "One-pot" synthesis and biological evaluation of a new class of inhibitors of tubulin polymerizationQ37388314
Receptor-ligand interaction-based virtual screening for novel Eg5/kinesin spindle protein inhibitorsQ39401006
BNC105: a novel tubulin polymerization inhibitor that selectively disrupts tumor vasculature and displays single-agent antitumor efficacy.Q39697801
IKKbeta inhibitors identification part II: ligand and structure-based virtual screeningQ39871377
Synthesis and structure-activity relationships of 2-amino-1-aroylnaphthalene and 2-hydroxy-1-aroylnaphthalenes as potent antitubulin agents.Q39909228
Synthesis and biological evaluation of 1-methyl-2-(3',4',5'-trimethoxybenzoyl)-3-aminoindoles as a new class of antimitotic agents and tubulin inhibitorsQ40015194
Arylthioindole inhibitors of tubulin polymerization. 3. Biological evaluation, structure-activity relationships and molecular modeling studies.Q40133738
Synthesis and biological evaluation of 2- and 3-aminobenzo[b]thiophene derivatives as antimitotic agents and inhibitors of tubulin polymerization.Q40147776
Synthesis and biological evaluation of 2-(3',4',5'-trimethoxybenzoyl)-3-amino 5-aryl thiophenes as a new class of tubulin inhibitorsQ40221429
2-amino and 2'-aminocombretastatin derivatives as potent antimitotic agentsQ40221434
New arylthioindoles: potent inhibitors of tubulin polymerization. 2. Structure-activity relationships and molecular modeling studiesQ40322294
Arylthioindoles, potent inhibitors of tubulin polymerization.Q40487677
P433issue5
P304page(s)998-1016
P577publication date2015-05-05
P1433published inChemical Biology and Drug DesignQ15749458
P1476titleTubulin inhibitor identification by bioactive conformation alignment pharmacophore-guided virtual screening
P478volume86

Reverse relations

cites work (P2860)
Q46213251Hybrid Receptor-Bound/MM-GBSA-Per-residue Energy-Based Pharmacophore Modelling: Enhanced Approach for Identification of Selective LTA4H Inhibitors as Potential Anti-inflammatory Drugs
Q40506281Identification and characterization of antibacterial compound(s) of cockroaches (Periplaneta americana).
Q58880802Synthesis of Pironetin-Dumetorine Hybrids as Tubulin Binders

Search more.