Keywords: مدل همولوگایی; Thyroid hormone transport; Molecular import and export; Xenopus laevis oocytes; Homology model; Site-directed mutagenesis; Competitive inhibition studies;
مقالات ISI مدل همولوگایی (ترجمه نشده)
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Keywords: مدل همولوگایی; ANS, 8-anilino-1-napthalenesulphonate; βME, beta mercaptoethanol; GalNAc, N-acetyl-d-galactosamine; GdnHCl, guanidine hydrochloride; SJL, Sophora japonica lectinSophora japonica seed lectin; Homology model; Docking; Ligand binding; Dissociation; Thermal t
Keywords: مدل همولوگایی; Zika virus; Neglected tropical disease; Homology model; Molecular docking;
Keywords: مدل همولوگایی; Group A streptococcus; RNase J1/J2; Homology model; High-throughput virtual screening (HTVS)
Keywords: مدل همولوگایی; N-acetylneuraminic acid; N-acetylmannosamine 6-phosphate; Substrate selectivity; Homo sapiens; Homology model;
AMP and adenosine are both ligands for adenosine 2B receptor signaling
Keywords: مدل همولوگایی; Adenosine; AMP; A2BR; Gq activation; Docking; Homology model;
Spiro-1-benzofuranpiperidinylalkanoic acids as a novel and selective sphingosine S1P5 receptor agonist chemotype
Keywords: مدل همولوگایی; S1P5 receptor agonists; Subtype selectivity; Spirocyclic scaffold; Molecular modelling; Homology model; Oral bioavailability; Turbidimetric aqueous solubility; Microsomal stability; Membrane permeation;
Identification of potent lysophosphatidic acid receptor 5 (LPA5) antagonists as potential analgesic agents
Keywords: مدل همولوگایی; LPA5 antagonist; Analgesic agents; BBB permeability; CNS MPO score; Homology model;
Assessment of the transmembrane domain structures in GPCR Dock 2013 models
Keywords: مدل همولوگایی; GPCR; Homology model; Transmembrane; Ligand docking; RMSD; Classification;
Molecular and in silico analyses validates pathogenicity of homozygous mutations in the NPR2 gene underlying variable phenotypes of Acromesomelic dysplasia, type Maroteaux
Keywords: مدل همولوگایی; AMDM; Acromesomelic dysplasia, Maroteaux type; ECD; extracellular domain; GC; guanylate cyclase; CNP; C-type natriuretic peptide; PDB; protein databank; PDF; probability density function; DOPE; discrete optimized protein energy; MD; molecular dynamics; Hs
Assessing GPCR homology models constructed from templates of various transmembrane sequence identities: Binding mode prediction and docking enrichment
Keywords: مدل همولوگایی; A2AAR; adenosine receptor A2A; AUC; area under curve; β2AR; beta 2 adrenergic receptor; D3R; dopamine receptor D3; δOR; delta-opioid receptor; ECL; extracellular loop; GPCR; G protein-coupled receptor; H1R; histamine receptor H1; ICL; intracellular loop
Two residues determine the product profile of the class II diterpene synthases TPS14 and TPS21 of Tripterygium wilfordii
Keywords: مدل همولوگایی; Tripterygium wilfordii; Celastraceae; Diterpene synthase; Homology model; Structure-function relation; ONVABDHFQKWOSV-FBNVHBDNSA-N; DQUHDYWUEKWRLN-FBNVHBDNSA-N; ZDGVATANBJCRHY-SAJYTXOJSA-N; FZSRMADKTOBCNT-JEIUYRFKSA-N; JCAIWDXKLCEQEO-HNFXNKIISA-N; PQTMZYK
The design and SAR of a novel series of 2-aminopyridine based LRRK2 inhibitors
Keywords: مدل همولوگایی; 2-Aminopyridines; Parkinson's; Homology model; LRRK2; Kinativ;
Machine learning and docking models for Mycobacterium tuberculosis topoisomerase I
Keywords: مدل همولوگایی; Bayesian models; Collaborative drug discovery tuberculosis database; Docking; Function class fingerprints; Homology model; Mycobacterium tuberculosis; Topoisomerase; Tuberculosis;
Design, synthesis and biological evaluation of GPR55 agonists
Keywords: مدل همولوگایی; GPR55; Homology model; Thiourea; β-Arrestin recruitment assay; Cancer;
Evaluation of the combination mode of azoles antifungal inhibitors with CACYP51 and the influence of Site-directed mutation
Keywords: مدل همولوگایی; Azoles CACYP51 inhibitors; Homology model; Molecular docking; Site-directed mutation;
Comparison and analysis of the structures and binding modes of antifungal SE and CYP51 inhibitors
Keywords: مدل همولوگایی; SE inhibitors; CYP51 inhibitors; Homology model; Molecular docking; Fungi resistance;
Homology modeling of Homo sapiens lipoic acid synthase: Substrate docking and insights on its binding mode
Keywords: مدل همولوگایی; LIASlipoic acid synthase; LAlipoic acid; ORFopen reading frame; KGDHα-ketoglutarate dehydrogenase; PDHCpyruvate dehydrogenase complex; Ins2Akita/+accelerated nephropathy; apoEâ/âapo E deficient; T2DMtype 2 diabetes mellitus; GAgenetic algorithm; MDmo
Discovery of nanomolar ligands with novel scaffolds for the histamine H4 receptor by virtual screening
Keywords: مدل همولوگایی; Histamine; Virtual screening; H4 receptor; Homology model; Docking; Drug discovery;
Design and development of benzoxazole derivatives with toll-like receptor 9 antagonism
Keywords: مدل همولوگایی; TLR9; TLR7; Inflammation; Antagonist; Homology model; Drug design; Computational analysis; FGDQSWJQAISDMB-UHFFFAOYSA-N;
Synthesis of rebaudioside A from stevioside and their interaction model with hTAS2R4 bitter taste receptor
Keywords: مدل همولوگایی; Stevia rebaudiana (Asteraceae); Steviol glycosides; Homology model; Ramachandran plot; hTAS2R4; β-1,3-Glucanase; Transglycosylation;
Homodimerization of UDP-glucuronosyltransferase 2B7 (UGT2B7) and identification of a putative dimerization domain by protein homology modeling
Keywords: مدل همولوگایی; UDP-glucuronosyltransferase; UGT2B7; Homology model; Dimerization; Enzyme kinetics; Glucuronidation
NADP+ binding effects tryptophan accessibility, folding and stability of recombinant B. malayi G6PD
Keywords: مدل همولوگایی; ANS; 1-anilinonaphthalene-8-sulfonate; BmG6PD; Brugia malayi glucose-6-phosphate dehydrogenase; G6P; glucose 6-phosphate; GdmCl; guanidine hydrochloride; KI; potassium iodide; Brugia malayi G6PD; Dissociation constant; Homology model;
Small molecule inhibits activity of scavenger receptor A: Lead identification and preliminary studies
Keywords: مدل همولوگایی; Scavenger receptor A; Natural product; Rhein; Cysteine-rich domain; Homology model; Cancer therapy;
Design and synthesis of constrained analogs of LCRF-0004 as potent RON tyrosine kinase inhibitors
Keywords: مدل همولوگایی; RON; c-Met; RTK inhibitors; Bicyclic head group; Molecular docking; Homology model
SAH derived potent and selective EZH2 inhibitors
Keywords: مدل همولوگایی; EZH2; SAH; Nucleoside; Homology model
The N-terminal acidic residue of the cytosolic helix 8 of an odorant receptor is responsible for different response dynamics via G-protein
Keywords: مدل همولوگایی; Odorant receptor; G-protein coupled receptor; Mouse; Ca2+ imaging; Interaction; Homology model;
Interaction model of steviol glycosides from Stevia rebaudiana (Bertoni) with sweet taste receptors: A computational approach
Keywords: مدل همولوگایی; Steviol glycosides; Homology model; TIR2; T1R3; Ramachandran plot; PROCHECK; ERRAT; Multiple point stimulation model;
Dopamine D1 receptor-agonist interactions: A mutagenesis and homology modeling study
Keywords: مدل همولوگایی; Dopamine receptors; Dopamine; Mutation; Homology model; Molecular dynamics;
Imidacloprid and thiacloprid neonicotinoids bind more favourably to cockroach than to honeybee α6 nicotinic acetylcholine receptor: Insights from computational studies
Keywords: مدل همولوگایی; nAChR; nicotinic acetylcholine receptor; Ac-AChBP; Aplysia californica-acetylcholine binding protein; LGICs; ligand-gated ion channels; GABA; gamma-aminobutyric acid; 5-HT3; 5-hydroxytryptamine receptor subtype 3; CHARMM; Chemistry at Harvard Molecular Me
Comparison of templates for homology model of Ï1 GABAC receptors: More insights to the orthosteric binding site's structure and functionality
Keywords: مدل همولوگایی; Ligand gated ion channel; GABAC receptor; GABA rho; Homology model;
Fluorescent probes of the isoxazole-dihydropyridine scaffold: MDR-1 binding and homology model
Keywords: مدل همولوگایی; Multidrug resistance transporter; Isoxazole; Dihydropyridine; Homology model;
Single point mutations of aromatic residues in transmembrane helices 5 and -6 differentially affect TRPV4 activation by 4α-PDD and hypotonicity: Implications for the role of the pore region in regulating TRPV4 activity
Keywords: مدل همولوگایی; TRPV4; Homology model; Aromatic residues; Signal integration;
Leishmania donovani eukaryotic initiation factor 5A: Molecular characterization, localization and homology modelling studies
Keywords: مدل همولوگایی; eIF5A; Hypusine; MALDI; Localization; Homology model;
Biochemical characterization and structure-function relationship of two plant NCS2 proteins, the nucleobase transporters NAT3 and NAT12 from Arabidopsis thaliana
Keywords: مدل همولوگایی; NCS2; Nucleobase ascorbate transporter; Homology model; Mutagenesis; Arabidopsis thaliana; Uracil;
Design, synthesis, biological evaluation, and comparative docking study of 1,2,4-triazolones as CB1 receptor selective antagonists
Keywords: مدل همولوگایی; Cannabinoid receptors; Antagonist; 1,2,4-Triazolone; Scaffold hopping; Homology model;
Solution and in silico studies on the recombinant lectin from Cicer arietinum seeds
Keywords: مدل همولوگایی; Cicer lectin; BL21-CodonPlus (DE3)-RIL cells; Steady-state and time resolved fluorescence; Unfolding; Aggregation; Homology model; rCAL; recombinant Cicer arietinum lectin; GdnHCl; guanidine hydrochloride; ANS; 8-anilino-1-napthalenesulphonate;
Design, synthesis, and binding mode prediction of 2-pyridone-based selective CB2 receptor agonists
Keywords: مدل همولوگایی; IPCYPXCGYWGJEK-UHFFFAOYSA-N; cAMP; 3â²,5â²-cyclic adenosine monophosphate; CB; cannabinoid; CHO; Chinese hamster ovary; CNS; central nervous system; DCM; dichloromethane; DMF; N,N-dimethylformamide; DPPA; diphenylphosphonic azide; ECL; extracellular loo
Structural features of the apelin receptor N-terminal tail and first transmembrane segment implicated in ligand binding and receptor trafficking
Keywords: مدل همولوگایی; AR; apelin receptor; AR55; residues 1-55 of AR; BSA; bovine serum albumin; CSI; chemical shift index; DMEM; Dulbecco's modified eagle medium; DPC; dodecylphosphocholine; DPPC; dipalmitoylphosphatidylcholine; DSS; sodium 2,2-dimethyl-2-silapentane-5-sulf
Synthesis and SAR study of new thiazole derivatives as vascular adhesion protein-1 (VAP-1) inhibitors for the treatment of diabetic macular edema: Part 2
Keywords: مدل همولوگایی; VAP-1; Inhibitor; Guanidine; Species difference; Hybrid; Homology model; Sequence information;
Computer-aided identification, design and synthesis of a novel series of compounds with selective antiviral activity against chikungunya virus
Keywords: مدل همولوگایی; Antiviral; Chikungunya; CHIKV; Homology model; Molecular dynamics; Virtual screening
Structure-based drug design using GPCR homology modeling: Toward the discovery of novel selective CysLT2 antagonists
Keywords: مدل همولوگایی; G-protein-coupled receptors; CysLT2 antagonists; Homology model; Molecular docking; Structure-based design
Pharmacophore modeling, homology modeling, and in silico screening reveal mammalian target of rapamycin inhibitory activities for sotalol, glyburide, metipranolol, sulfamethizole, glipizide, and pioglitazone
Keywords: مدل همولوگایی; mTOR; HipHop; Pharmacophore; Virtual Screening; Homology model; ROC
Synthesis and structure–activity relationships of imidazo[1,2-a]pyrimidin-5(1H)-ones as a novel series of beta isoform selective phosphatidylinositol 3-kinase inhibitors
Keywords: مدل همولوگایی; PI3K-beta inhibitor; PTEN-null; Phosphatidylinositol 3-kinase; Homology model; Structure–activity relationship
Cloning, expression and purification of Atlantic salmon (Salmo salar, L.) neuroglobin
Keywords: مدل همولوگایی; Neuroglobin; Atlantic salmon; Western analysis; Heme spectrum; Homology model; Psychrophilic;
Toll-like receptor 5 forms asymmetric dimers in the absence of flagellin
Keywords: مدل همولوگایی; TLR; toll-like receptor; ECD; ectodomain; TM; transmembrane; LRR; leucine-rich repeat; EM; electron microscopy; TEA; triethanolamine; Electron microscopy; Single-particle reconstruction; Innate immunity; Asymmetric homodimer; Homology model; Pattern recog
Cloning, expression and characterization of lepidopteran isopentenyl diphosphate isomerase
Keywords: مدل همولوگایی; Isopentenyl diphosphate isomerase; Dimethylallyl diphosphate; Juvenile hormone; Lepidoptera; Inhibitor; Homology model;
Identification of human IKK-2 inhibitors of natural origin (Part II): In Silico prediction of IKK-2 inhibitors in natural extracts with known anti-inflammatory activity
Keywords: مدل همولوگایی; IKK-β; Chronic inflammation; Homology model; Pharmacognosy; Scaffold hopping; Virtual screeningYNDPWUDABJNCH-UHFFFAOYSA-O; ONTDFHSCYDCHGT-UHFFFAOYSA-O; RDYSDCWZHHUGIB-UHFFFAOYSA-N; VCMUMGSGUWZSEZ-UHFFFAOYSA-N; KCSBPSPWZAGWAF-SJXPRXMESA-O; ZGGZBXFALFIMCG-U
Modeling Photosystem I with the alternative reaction center protein PsaB2 in the nitrogen fixing cyanobacterium Nostoc punctiforme
Keywords: مدل همولوگایی; ATP, adenosine triphosphate; Chl-a, Chlorophyll-a; NADPH, Nicotinamide adenine dinucleotide phosphate; PSI, Photosystem I; PSII, Photosystem IIPhotosystem-I; Nostoc punctiforme; Electron transfer; Homology model; Multiple sequence alignment
The structure of avian polyomavirus reveals variably sized capsids, non-conserved inter-capsomere interactions, and a possible location of the minor capsid protein VP4
Keywords: مدل همولوگایی; Arginine; Capsomere connections; Cryo-electron microscopy; Homology model; Human JC polyomavirus; Simian virus 40; Size-exclusion chromatography; Three-dimensional reconstruction; Virus assembly; Virus structure;