دانلود مقالات ISI درباره Sbdd + ترجمه فارسی

فشار دادن محدودیت های تشخیص اتصال ضعیف با استفاده از قطعه کشف مواد مخدر: شناسایی گیرنده های سیکلوفیلین جدید

Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders

Keywords: Cyps; cyclophilins; CypA; cyclophilin A; PPIases; peptidyl-prolyl isomerases; CsA; cyclosporin A; HIV-1; human immunodeficiency virus 1; HCV; hepatitis C virus; SBDD; structure-based drug design; FBDD; fragment-based drug discovery; MD; molecular dynami

دانلود رایگان متن کامل مقاله ISI 15 صفحه سال انتشار : 2017 سفارش ترجمه

هدف قرار دادن پروتئین های سیستی در کشف داروهای بیماری تریپانوسومات

Targeting cysteine proteases in trypanosomatid disease drug discovery

Keywords: BBB; blood-brain barrier; CNS; central nervous system; HAT; human African trypanosomiasis; NTDs; neglected tropical diseases; PDB; Protein Data Bank; PPPs; public-private partnerships; R&D; research and development; RNAi; RNA interference; SBDD; structure

دانلود رایگان متن کامل مقاله ISI 49 صفحه سال انتشار : 2017 سفارش ترجمه

مطالعه ساختاری و محاسباتی بر ترکیبات مهار کننده برای فعالیت اندونوکلئاز ویروس آنفلوانزا پلی مراز

Structural and computational study on inhibitory compounds for endonuclease activity of influenza virus polymerase

Keywords: PAN; polymerase acidic protein N-terminal domain; MD; molecular dynamics; MM/GBSA; molecular mechanics/generalized Born surface area; H5N1; hemagglutinin type 5 and neuraminidase type; M2 protein; matrix protein 2; HIV; human immunodeficiency virus; SBDD;

دانلود رایگان متن کامل مقاله ISI 32 صفحه سال انتشار : 2015 سفارش ترجمه

Discovery of orally efficacious RORγt inverse agonists. Part 2: Design, synthesis, and biological evaluation of novel tetrahydroisoquinoline derivatives

Keywords: RORγt; retinoic acid receptor-related orphan receptor-gamma t; EAE; experimental autoimmune encephalomyelitis; BODIPY; boron-dipyrromethene; TR-FRET; time-resolved fluorescence resonance energy transfer; SAR; structure-activity relationship; IFN-γ; inte

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2018 سفارش ترجمه

Diarylcyclopropane hydroxamic acid inhibitors of histone deacetylase 4 designed by combinatorial approach and QM/MM calculations

Keywords: Huntington's disease; Histone deacetylases; Inhibitors of HDAC4; Computer-assisted drug design; QM/MM approach; B3LYP; hybrid gradient-corrected exchange-correlation functional of electron density; CADD; computer-assisted drug design; DCHA; trans-(2R,3R)-

دانلود رایگان متن کامل مقاله ISI 43 صفحه سال انتشار : 2018 سفارش ترجمه

Studies of CDK 8/19 inhibitors: Discovery of novel and selective CDK8/19 dual inhibitors and elimination of their CYP3A4 time-dependent inhibition potential

Keywords: ADME; absorption, distribution, metabolism, and excretion; AML; acute myelogenous leukemia; AUC; area under the blood concentration time curve; b.i.d.; twice a day; CDK; Cyclin-dependent kinase; CLtotal; clearance; Cmax; maximum drug concentration; CRC; c

دانلود رایگان متن کامل مقاله ISI 16 صفحه سال انتشار : 2017 سفارش ترجمه

Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate

Keywords: Axl; Mer; Structure design; Oncology design; Modeling; Crystallography; SBDD;

دانلود رایگان متن کامل مقاله ISI 16 صفحه سال انتشار : 2017 سفارش ترجمه

Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 2

Keywords: Methionine aminopeptidase-2; MetAP2; Metalloprotease; Fragment-based drug discovery; FBDD; Structure-based drug design; SBDD; Pyrazolo[4,3-b]indoles;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2016 سفارش ترجمه

Design, synthesis and optimization of novel Alk5 (activin-like kinase 5) inhibitors

Keywords: Alk5; Inhibitors; Activin; Kinase; Transforming; Growth; Factor; SBDD;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2016 سفارش ترجمه

Recent progress on third generation covalent EGFR inhibitors

Keywords: EGFR; Covalent inhibitor; T790M; Oncogenic mutation; Lung cancer; NSCLC; SBDD; Drug resistance;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2016 سفارش ترجمه

Optimization of the phenylurea moiety in a phosphoinositide 3-kinase (PI3K) inhibitor to improve water solubility and the PK profile by introducing a solubilizing group and ortho substituents

Keywords: PI3K; Cancer; SBDD; Molecular planarity; Solubility; Pharmacokinetic profile

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2016 سفارش ترجمه

Discovery of a potent and highly selective transforming growth factor β receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)

Keywords: TAK1; SBDD; Inhibitor; Kinase selectivity

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2016 سفارش ترجمه

Design, synthesis and biological evaluation of 5-benzylidene-2-iminothiazolidin-4-ones as selective GSK-3β inhibitors

Keywords: GSK-3; CDK-2; Molecular docking; Molecular dynamics; SBDD; ICKPGBPIOPGQTC-UITAMQMPSA-N; KFVQEAUDWUKSMG-BOPFTXTBSA-N; NSRQEPDSABSJEH-YWEYNIOJSA-N; CLAFIVNSSVOTSP-GDNBJRDFSA-N; AKAOIQHIQLGIQQ-BOPFTXTBSA-N; QMZMFQSCRVRMSU-YWEYNIOJSA-N; SQIZTXJHAKRNIQ-WJDWOHS

دانلود رایگان متن کامل مقاله ISI 17 صفحه سال انتشار : 2016 سفارش ترجمه

Design and synthesis of potent and selective pyridazin-4(1H)-one-based PDE10A inhibitors interacting with Tyr683 in the PDE10A selectivity pocket

Keywords: Phosphodiesterase 10A; PDE10A; Inhibitors; Schizophrenia; SBDD;

دانلود رایگان متن کامل مقاله ISI 23 صفحه سال انتشار : 2016 سفارش ترجمه

Structure-based design and synthesis of bicyclic fused-pyridines as MEK inhibitors

Keywords: MEK; Bicyclic; Fused-pyridine; Cancer; SBDD;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2014 سفارش ترجمه

Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors

Keywords: SBDD; ITK; Indazole; X-ray crystallography; π-stacking;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2014 سفارش ترجمه

Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket

Keywords: Pin1; Peptidyl-prolyl isomerase; PPIase; Phospho-protein epitope; Anti-cancer; Anti-tumor; Mitosis; SBDD; Structural based drug design; Medicinal chemistry; Cell permeability;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2014 سفارش ترجمه

Structure-based design, SAR analysis and antitumor activity of PI3K/mTOR dual inhibitors from 4-methylpyridopyrimidinone series

Keywords: SBDD; Kinase inhibitor; PI3K/mTOR dual inhibitor; Cancer; Antitumor; Effective polar surface area; ePSA; Metabolite;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2013 سفارش ترجمه

The development of CNS-active LRRK2 inhibitors using property-directed optimisation

Keywords: PD; Parkinson's disease; LRRK2; leucine-rich repeat kinase 2; DLP1; dynamin-like protein 1; FOXO1; forkhead box transcription factor; 4E-BP; eukaryotic initiation factor 4E (eIF4E)-binding protein; SBDD; structure-based drug design; HTS; high throughput

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2013 سفارش ترجمه

Lead optimization of a dihydropyrrolopyrimidine inhibitor against phosphoinositide 3-kinase (PI3K) to improve the phenol glucuronic acid conjugation

Keywords: WZVLQVVHYKFKAZ-UHFFFAOYSA-NPI3K; Cancer; SBDD; Bioisostere; Glucuronic acid conjugation

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2013 سفارش ترجمه

Molecular interaction of the first 3 enzymes of the de novo pyrimidine biosynthetic pathway of Trypanosoma cruzi

Keywords: CPSII; carbamoyl-phosphate synthetase II; ATC; aspartate transcarbamoylase; DHO; dihydroorotase; CAD; CPSII-DHO-ATC fusion enzyme; UMP; uridine 5′-monophosphate; SBDD; structure-based drug design; De novo pyrimidine biosynthetic pathway; Carbamoyl-phosp

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2012 سفارش ترجمه

A new class of non-thiazolidinedione, non-carboxylic-acid-based highly selective peroxisome proliferator-activated receptor (PPAR) γ agonists: Design and synthesis of benzylpyrazole acylsulfonamides

Keywords: PPARγ agonist; Diabetes mellitus; SBDD; Acylsulfonamide; Isosteric replacement;

دانلود رایگان متن کامل مقاله ISI 20 صفحه سال انتشار : 2012 سفارش ترجمه

Structure–activity relationships and key structural feature of pyridyloxybenzene-acylsulfonamides as new, potent, and selective peroxisome proliferator-activated receptor (PPAR) γ Agonists

Keywords: PPARγ agonists; Diabetes mellitus; SBDD; Acylsulfonamide; Isosteric replacement

دانلود رایگان متن کامل مقاله ISI 27 صفحه سال انتشار : 2012 سفارش ترجمه

Discovery of TAK-733, a potent and selective MEK allosteric site inhibitor for the treatment of cancer

Keywords: MEK; Kinase; SBDD; Allosteric; Pyridopyrimidinedione; Oncology

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2011 سفارش ترجمه

Structure-based lead identification of ATP-competitive MK2 inhibitors

Keywords: MAPKAPK2; MK2; Anti-TNFα; SBDD; Rheumatoid arthritis

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2011 سفارش ترجمه

Structure based design of heat shock protein 90 inhibitors acting as anticancer agents

Keywords: HSP90; SBDD; Virtual screening; Anticancer agents;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

Structure based evolution of a novel series of positive modulators of the AMPA receptor

Keywords: AMPA receptor; Allosteric modulator; SBDD; Indane; Scaffold hopping

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

A novel series of positive modulators of the AMPA receptor: Discovery and structure based hit-to-lead studies

Keywords: AMPA receptor; Allosteric modulator; SBDD; Hit-to-lead

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2010 سفارش ترجمه

A novel series of positive modulators of the AMPA receptor: Structure-based lead optimization

Keywords: AMPA receptor; Positive allosteric modulators; Ion channels; SBDD

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2010 سفارش ترجمه

Structure-based design of novel human Pin1 inhibitors (II)

Keywords: Pin1; Pin1 inhibitors; Phosphate replacement; PPIase; Anti-cancer agents; SBDD; Carboxylates; Tetrazoles

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2010 سفارش ترجمه

Design, synthesis, and evaluation of 2-aryl-7-(3′,4′-dialkoxyphenyl)-pyrazolo[1,5-a]pyrimidines as novel PDE-4 inhibitors

Keywords: PDE-4 inhibitor; SBDD; COPD; Asthma

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2010 سفارش ترجمه

Structure-guided expansion of kinase fragment libraries driven by support vector machine models

Keywords: FBDD; fragment-based drug design; SBDD; structure-based drug design; QSAR; quantitative structure activity relationship; SVM-FP; support vector machine-fingerprints; PPV; positive predicted value; LE; ligand efficiency; HAC; heavy atom count; AMW; atomi

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2010 سفارش ترجمه

Structure-based design of novel human Pin1 inhibitors (I)

Keywords: Pin1; PPIase; Anticancer; SBDD; Pin1 inhibitor

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2009 سفارش ترجمه

Rational design of conformationally restricted quinazolinone inhibitors of poly(ADP-ribose)polymerase

Keywords: Poly(ADP-ribose)polymerase PARP-1; SBDD; X-ray; Quinazolinone; Conformationally restricted

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2007 سفارش ترجمه

A fluorescence polarization assay for inhibitors of Hsp90

Keywords: Hsp90; Fluorescence polarization; ATPase; SBDD; SAR; Resorcinol; Geldanamycin; 17AAG; Radicicol; PU3

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2006 سفارش ترجمه

Discovery of potent and selective PARP-1 and PARP-2 inhibitors: SBDD analysis via a combination of X-ray structural study and homology modeling

Keywords: PARP-1; PARP-2; SBDD; X-ray; Homology modelingPARP-1, poly(ADP-ribose)polymerase-1; PARP-2, poly(ADP-ribose) polymerase-2 (PARP-2); NAD+, nicotinamide adenine dinucleotide; PAR, poly(ADP-ribose); SBDD, structure based drug design; NI site, nicotinamide-ri

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2006 سفارش ترجمه

Discovery of quinazolinone and quinoxaline derivatives as potent and selective poly(ADP-ribose) polymerase-1/2 inhibitors

Keywords: PARP-1; Poly(ADP-ribose) polymerase-1; PARP-2; Poly(ADP-ribose) polymerase-2 (PARP-2); NAD+; nicotinamide adenine dinucleotide; PAR; Poly(ADP-ribose); NI site; nicotinamide-ribose binding site; AD site; adenine-ribose binding site; Poly(ADP-ribose) polyme

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2005 سفارش ترجمه