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[PMID]:29334729
[Au] Autor:Huang R; Jiang BG; Li XN; Wang YT; Liu SS; Zheng KX; He J; Wu SH
[Ad] Endereço:School of Chemical Science and Technology, Yunnan University , Kunming 650091, China.
[Ti] Título:Polyoxygenated Cyclohexenoids with Promising α-Glycosidase Inhibitory Activity Produced by Phomopsis sp. YE3250, an Endophytic Fungus Derived from Paeonia delavayi.
[So] Source:J Agric Food Chem;66(5):1140-1146, 2018 Feb 07.
[Is] ISSN:1520-5118
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:Seven new polyoxygenated cyclohexenoids, namely, phomopoxides A-G (1-7), were isolated from the fermentation broth extract of an endophytic fungal strain Phomopsis sp. YE3250 from the medicinal plant Paeonia delavayi Franch. The structures of these compounds were established by spectroscopic interpretation. The absolute configurations of compounds 1 and 4 were confirmed by X-ray crystallographic analysis and chemical derivative approach. All isolated compounds showed weak cytotoxic activities toward three human tumor cell lines (Hela, MCF-7, and NCI-H460) and weak antifungal activities against five pathogenic fungi (Candida albicans, Aspergillus niger, Pyricularia oryzae, Fusarium avenaceum, and Hormodendrum compactum). In addition, compounds 1-7 showed a promising α-glycosidase inhibitory activity with IC values of 1.47, 1.55, 1.83, 2.76, 2.88, 3.16, and 2.94 mM, respectively, as compared with a positive control of acarbose (IC = 1.22 mM).
[Mh] Termos MeSH primário: Ascomicetos/metabolismo
Cicloexanos/farmacologia
Inibidores Enzimáticos
Glicosídeo Hidrolases/antagonistas & inibidores
Paeonia/microbiologia
[Mh] Termos MeSH secundário: Antifúngicos
Antineoplásicos
Linhagem Celular Tumoral
Cicloexanos/química
Endófitos/metabolismo
Células HeLa
Seres Humanos
Células MCF-7
Oxigênio/química
Plantas Medicinais/microbiologia
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Antifungal Agents); 0 (Antineoplastic Agents); 0 (Cyclohexanes); 0 (Enzyme Inhibitors); EC 3.2.1.- (Glycoside Hydrolases); S88TT14065 (Oxygen)
[Em] Mês de entrada:1802
[Cu] Atualização por classe:180226
[Lr] Data última revisão:
180226
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:180117
[St] Status:MEDLINE
[do] DOI:10.1021/acs.jafc.7b04998


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[PMID]:29311461
[Au] Autor:Nambu H
[Ad] Endereço:Graduate School of Medicine and Pharmaceutical Sciences, University of Toyama.
[Ti] Título:[Novel Methods for the Synthesis of Heterocycles Using Highly Reactive Spirocyclopropanes].
[So] Source:Yakugaku Zasshi;138(1):19-25, 2018.
[Is] ISSN:1347-5231
[Cp] País de publicação:Japan
[La] Idioma:jpn
[Ab] Resumo:This review describes our recent efforts to develop efficient methods for the synthesis of heterocyclic compounds, such as indoles and benzofurans, employing ring-opening cyclization of cyclohexane-1,3-dione-2-spirocyclopropanes, which were prepared by the reaction of 1,3-cyclohexanediones with sulfonium salts. Ring-opening cyclization of cyclohexane-1,3-dione-2-spirocyclopropanes with primary amines proceeded at room temperature to provide 2-substituted tetrahydroindol-4(5H)-ones in good to excellent yield. The obtained product was readily converted into a 2-substituted 4-hydroxyindole derivative. Furthermore, acid-catalyzed ring-opening cyclization of cyclohexane-1,3-dione-2-spirocyclopropanes proceeded smoothly at room temperature to provide 2-substituted tetrahydrobenzofuran-4(2H)-ones in excellent yield. The obtained product was converted into a 2-substituted 4-hydroxybenzofuran derivative. The synthetic utility of this catalytic protocol was demonstrated by the total synthesis of cuspidan B.
[Mh] Termos MeSH primário: Química Orgânica/métodos
Compostos Heterocíclicos/síntese química
[Mh] Termos MeSH secundário: Aminas/química
Benzofuranos/síntese química
Catálise
Ciclização
Cicloexanos/síntese química
Cicloexanonas/química
Ciclopropanos/síntese química
Indóis/síntese química
Fenômenos de Química Orgânica
Alimentos de Soja
Estilbenos/síntese química
Compostos de Sulfônio/química
[Pt] Tipo de publicação:JOURNAL ARTICLE; REVIEW
[Nm] Nome de substância:
0 (Amines); 0 (Benzofurans); 0 (Cyclohexanes); 0 (Cyclohexanones); 0 (Cyclopropanes); 0 (Heterocyclic Compounds); 0 (Indoles); 0 (Stilbenes); 0 (Sulfonium Compounds); 0 (cuspidan B); 6UK3D2BXJT (1,3-cyclohexanedione)
[Em] Mês de entrada:1802
[Cu] Atualização por classe:180226
[Lr] Data última revisão:
180226
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:180110
[St] Status:MEDLINE
[do] DOI:10.1248/yakushi.17-00188


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[PMID]:29338009
[Au] Autor:Pont I; Calatayud-Pascual A; López-Castellano A; Albelda EP; García-España E; Martí-Bonmatí L; Frias JC; Albelda MT
[Ad] Endereço:Instituto de Ciencia Molecular, Universidad de Valencia, Valencia, Spain.
[Ti] Título:Anti-angiogenic drug loaded liposomes: Nanotherapy for early atherosclerotic lesions in mice.
[So] Source:PLoS One;13(1):e0190540, 2018.
[Is] ISSN:1932-6203
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:Fumagillin-loaded liposomes were injected into ApoE-KO mice. The animals were divided into several groups to test the efficacy of this anti-angiogenic drug for early treatment of atherosclerotic lesions. Statistical analysis of the lesions revealed a decrease in the lesion size after 5 weeks of treatment.
[Mh] Termos MeSH primário: Inibidores da Angiogênese/uso terapêutico
Aterosclerose/tratamento farmacológico
Cicloexanos/uso terapêutico
Modelos Animais de Doenças
Portadores de Fármacos
Ácidos Graxos Insaturados/uso terapêutico
Lipossomos
Nanopartículas
[Mh] Termos MeSH secundário: Inibidores da Angiogênese/administração & dosagem
Animais
Apolipoproteínas E/genética
Aterosclerose/diagnóstico por imagem
Aterosclerose/patologia
Cicloexanos/administração & dosagem
Ácidos Graxos Insaturados/administração & dosagem
Imagem por Ressonância Magnética
Camundongos
Camundongos Knockout
Sesquiterpenos/administração & dosagem
Sesquiterpenos/uso terapêutico
[Pt] Tipo de publicação:JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T
[Nm] Nome de substância:
0 (Angiogenesis Inhibitors); 0 (Apolipoproteins E); 0 (Cyclohexanes); 0 (Drug Carriers); 0 (Fatty Acids, Unsaturated); 0 (Liposomes); 0 (Sesquiterpenes); 7OW73204U1 (fumagillin)
[Em] Mês de entrada:1802
[Cu] Atualização por classe:180215
[Lr] Data última revisão:
180215
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:180117
[St] Status:MEDLINE
[do] DOI:10.1371/journal.pone.0190540


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[PMID]:27771018
[Au] Autor:Itoh N; Kim R; Peng M; DiFilippo E; Johnsonbaugh H; MacKenzie-Graham A; Voskuhl RR
[Ad] Endereço:Department of Neurology, University of California, Los Angeles, David Geffen School of Medicine, USA.
[Ti] Título:Bedside to bench to bedside research: Estrogen receptor beta ligand as a candidate neuroprotective treatment for multiple sclerosis.
[So] Source:J Neuroimmunol;304:63-71, 2017 Mar 15.
[Is] ISSN:1872-8421
[Cp] País de publicação:Netherlands
[La] Idioma:eng
[Ab] Resumo:Protective effects of pregnancy during MS have led to clinical trials of estriol, the pregnancy estrogen, in MS. Since estriol binds to estrogen receptor (ER) beta, ER beta ligand could represent a "next generation estriol" treatment. Here, ER beta ligand treatment was protective in EAE in both sexes and across genetic backgrounds. Neuroprotection was shown in spinal cord, sparing myelin and axons, and in brain, sparing neurons and synapses. Longitudinal in vivo MRIs showed decreased brain atrophy in cerebral cortex gray matter and cerebellum during EAE. Investigation of ER beta ligand as a neuroprotective treatment for MS is warranted.
[Mh] Termos MeSH primário: Cicloexanos/administração & dosagem
Cicloexanos/metabolismo
Receptor beta de Estrogênio/metabolismo
Esclerose Múltipla/metabolismo
Fármacos Neuroprotetores/administração & dosagem
Fármacos Neuroprotetores/metabolismo
Fenóis/administração & dosagem
Fenóis/metabolismo
[Mh] Termos MeSH secundário: Animais
Feminino
Ligantes
Masculino
Camundongos
Camundongos Endogâmicos C57BL
Camundongos Endogâmicos NOD
Esclerose Múltipla/prevenção & controle
Resultado do Tratamento
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (AC-186); 0 (Cyclohexanes); 0 (Estrogen Receptor beta); 0 (Ligands); 0 (Neuroprotective Agents); 0 (Phenols)
[Em] Mês de entrada:1708
[Cu] Atualização por classe:180213
[Lr] Data última revisão:
180213
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:161025
[St] Status:MEDLINE


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[PMID]:28463882
[Au] Autor:Kim CJ; Rousseau R; Huibner S; Kovacs C; Benko E; Shahabi K; Kandel G; Ostrowski M; Kaul R
[Ad] Endereço:aUniversity Health Network bDepartments of Medicine and Immunology, University of Toronto cMaple Leaf Medical Clinic dSt. Michael's Hospital, Toronto, Ontario, Canada.
[Ti] Título:Impact of intensified antiretroviral therapy during early HIV infection on gut immunology and inflammatory blood biomarkers.
[So] Source:AIDS;31(11):1529-1534, 2017 Jul 17.
[Is] ISSN:1473-5571
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:OBJECTIVE: Standard antiretroviral therapy (ART) is slow to reverse gut mucosal immune defects that cause persistent inflammation and immune activation. We examined whether intensifying early-administered ART through the addition of maraviroc and raltegravir would accelerate their resolution. DESIGN: ART-naïve men with early HIV infection were randomized in a double-blind manner to receive ART (emtricitabine/tenofovir disoproxil fumarate + lopinavir/ritonavir), together with either combined placebo or raltegravir + maraviroc, for 48 weeks. In a predefined substudy, paired blood and sigmoid biopsies were collected at baseline and week 48. Mucosal CD4 T-cell immune subsets (Th1, Th17, and Th22 cells), CD8 T-cell immune activation, and soluble blood markers of inflammation (IL-6, IL-17, macrophage inflammatory protein-1b, soluble CD14, and IL-10) and coagulation (D-dimer) were measured. RESULTS: A total of 22 participants were enrolled, a median of 4 months after HIV acquisition. At baseline, there was substantial systemic and mucosal immune activation, and gut CD4 T-cell numbers, Th22 cell numbers, and Th17 cell function were reduced compared with controls. Early ART restored gut Th22 numbers, improved but did not restore overall CD4 numbers, and had no impact on Th17 function. Plasma levels of soluble CD14 and D-dimer normalized, whereas other inflammatory cytokines were reduced but not normalized. ART intensification had no impact on any blood or gut immune parameters. CONCLUSION: Early HIV infection causes substantial mucosal and systemic immune activation, and gut CD4 T-cell dysfunction. One year of ART improved but did not normalize most parameters, regardless of intensification with raltegravir and maraviroc, and did not restore mucosal Th17 function.
[Mh] Termos MeSH primário: Fármacos Anti-HIV/farmacologia
Infecções por HIV/tratamento farmacológico
Imunidade nas Mucosas/efeitos dos fármacos
Inflamação/sangue
Inflamação/tratamento farmacológico
Mucosa Intestinal/efeitos dos fármacos
Mucosa Intestinal/imunologia
[Mh] Termos MeSH secundário: Adulto
Biomarcadores/sangue
Canadá
Cicloexanos/farmacologia
Método Duplo-Cego
Quimioterapia Combinada
Produtos de Degradação da Fibrina e do Fibrinogênio/efeitos dos fármacos
Citometria de Fluxo
Infecções por HIV/sangue
Infecções por HIV/imunologia
Seres Humanos
Inflamação/imunologia
Ativação Linfocitária/efeitos dos fármacos
Masculino
Meia-Idade
Estudos Prospectivos
Raltegravir Potássico/farmacologia
Células Th17/efeitos dos fármacos
Resultado do Tratamento
Triazóis/farmacologia
Adulto Jovem
[Pt] Tipo de publicação:JOURNAL ARTICLE; RANDOMIZED CONTROLLED TRIAL
[Nm] Nome de substância:
0 (Anti-HIV Agents); 0 (Biomarkers); 0 (Cyclohexanes); 0 (Fibrin Fibrinogen Degradation Products); 0 (Triazoles); 0 (fibrin fragment D); 43Y000U234 (Raltegravir Potassium); MD6P741W8A (maraviroc)
[Em] Mês de entrada:1802
[Cu] Atualização por classe:180202
[Lr] Data última revisão:
180202
[Sb] Subgrupo de revista:IM; X
[Da] Data de entrada para processamento:170503
[St] Status:MEDLINE
[do] DOI:10.1097/QAD.0000000000001515


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[PMID]:28845687
[Au] Autor:Swain RP; Subudhi BB
[Ad] Endereço:a Drug Development and Analysis Laboratory, School of Pharmaceutical Sciences , Siksha O Anusandhan University , Bhubaneswar , India.
[Ti] Título:Effect of semicrystalline polymers on self-emulsifying solid dispersions of nateglinide: in vitro and in vivo evaluation.
[So] Source:Drug Dev Ind Pharm;44(1):56-65, 2018 Jan.
[Is] ISSN:1520-5762
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:This study was undertaken to improve solubility and bioavailability of nateglinide by preparation of stable self-emulsifying solid dispersions (SESDs). The influence of semicrystalline polymers (poloxamer 407, gelucire 50/13) and method of preparation on dissolution behavior, in vivo performance and stability of nateglinide SESDs were investigated. After optimization, SESDs were prepared at 1:5 weight ratio of nateglinide and polymer individually. All the SESDs were characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, X-ray diffraction and scanning electron microscopy. Aqueous solubility of nateglinide was enhanced by 91.82-fold. The SESDs (poloxamer 407-based solid dispersions) achieved rapid and complete drug release (∼100% within 45 min) at pH 2. The improved dissolution appeared to be well correlated with the enhanced bioavailability of nateglinide in rabbits. After oral administration of SESDs (poloxamer 407-based solid dispersions), C and AUC of nateglinide were increased by ∼2.92 and 1.77-folds, respectively, signifying the effectiveness of solid dispersions to improve the bioavailability of nateglinide. Stability during storage was established to show prevention of recrystallization. In conclusion, SESDs with poloxamer 407 in solvent method appeared to be an economic and promising technique to improve the dissolution, bioavailability, and stability of nateglinide.
[Mh] Termos MeSH primário: Cicloexanos/química
Portadores de Fármacos/química
Emulsões/farmacocinética
Fenilalanina/análogos & derivados
Poloxâmero/química
Polímeros/química
Espectroscopia de Infravermelho com Transformada de Fourier/métodos
[Mh] Termos MeSH secundário: Administração Oral
Animais
Disponibilidade Biológica
Varredura Diferencial de Calorimetria
Liberação Controlada de Fármacos
Emulsões/química
Fenilalanina/química
Coelhos
Solubilidade
Difração de Raios X
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Cyclohexanes); 0 (Drug Carriers); 0 (Emulsions); 0 (Polymers); 106392-12-5 (Poloxamer); 41X3PWK4O2 (nateglinide); 47E5O17Y3R (Phenylalanine)
[Em] Mês de entrada:1801
[Cu] Atualização por classe:180111
[Lr] Data última revisão:
180111
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:170829
[St] Status:MEDLINE
[do] DOI:10.1080/03639045.2017.1371739


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[PMID]:29020646
[Au] Autor:Joshi A; Cox EK; Sedano MJ; Punke EB; Lee RT; Maurer-Stroh S; Kaur P; Ng OT; Garg H
[Ad] Endereço:Department of Biomedical Sciences, Texas Tech University Health Sciences Center, El Paso, TX, USA. Electronic address: anjali.joshi@ttuhsc.edu.
[Ti] Título:HIV-1 subtype CRF01_AE and B differ in utilization of low levels of CCR5, Maraviroc susceptibility and potential N-glycosylation sites.
[So] Source:Virology;512:222-233, 2017 Dec.
[Is] ISSN:1096-0341
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:HIV subtypes not only predominate in different geographical regions but also differ in key phenotypic characteristics. To determine if genotypic and/or phenotypic differences in the Envelope (Env) glycoprotein can explain subtype related differences, we cloned 37 full length Envs from Subtype B and AE HIV infected individuals from Singapore. Our data demonstrates that CRF01_AE Envs have lower Potential N Glycosylation Sites and higher risk of ×4 development. Phenotypically, CRF01_AE were less infectious than subtype B Envs in cells expressing low levels of CCR5. Moreover, the Maraviroc IC was higher for subtype B Envs and correlated with infectivity in low CCR5 expressing cells as well as PNGS. Specifically, the glycosylation site N301 in the V3 loop was seen less frequently in AE subtype and CXCR4 topic viruses. CRF01_AE differs from B subtype in terms of CCR5 usage and Maraviroc susceptibility which may have implications for HIV pathogenesis and virus evolution.
[Mh] Termos MeSH primário: Cicloexanos/farmacologia
HIV-1/classificação
Receptores CCR5/metabolismo
Triazóis/farmacologia
Produtos do Gene env do Vírus da Imunodeficiência Humana/metabolismo
[Mh] Termos MeSH secundário: Linhagem Celular
Clonagem Molecular
Regulação Viral da Expressão Gênica/fisiologia
Glicosilação
HIV-1/genética
Seres Humanos
Modelos Moleculares
Conformação Proteica
Replicação Viral
Produtos do Gene env do Vírus da Imunodeficiência Humana/genética
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (CCR5 protein, human); 0 (Cyclohexanes); 0 (Receptors, CCR5); 0 (Triazoles); 0 (env Gene Products, Human Immunodeficiency Virus); MD6P741W8A (maraviroc)
[Em] Mês de entrada:1711
[Cu] Atualização por classe:171109
[Lr] Data última revisão:
171109
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:171012
[St] Status:MEDLINE


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[PMID]:28828489
[Au] Autor:Gulick RM; Wilkin TJ; Chen YQ; Landovitz RJ; Amico KR; Young AM; Richardson P; Marzinke MA; Hendrix CW; Eshleman SH; McGowan I; Cottle LM; Andrade A; Marcus C; Klingman KL; Chege W; Rinehart AR; Rooney JF; Andrew P; Salata RA; Siegel M; Manabe YC; Frank I; Ho K; Santana J; Stekler JD; Swaminathan S; McCauley M; Hodder S; Mayer KH
[Ad] Endereço:From Weill Cornell Medicine, New York, New York; Fred Hutchinson Cancer Research Center and University of Washington, Seattle, Washington; University of California, Los Angeles, Los Angeles, California; University of Michigan, Ann Arbor, Michigan; Johns Hopkins University School of Medicine, Baltimo
[Ti] Título:Safety and Tolerability of Maraviroc-Containing Regimens to Prevent HIV Infection in Women: A Phase 2 Randomized Trial.
[So] Source:Ann Intern Med;167(6):384-393, 2017 Sep 19.
[Is] ISSN:1539-3704
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:Background: Maraviroc (MVC) is a candidate drug for HIV preexposure prophylaxis (PrEP). Objective: To assess the safety and tolerability of MVC-containing PrEP over 48 weeks in U.S. women at risk for HIV infection. Design: Phase 2 randomized, controlled, double-blinded study of 4 antiretroviral regimens used as PrEP. (ClinicalTrials.gov: NCT01505114). Setting: 12 clinical research sites of the HIV Prevention Trials Network and AIDS Clinical Trials Group. Participants: HIV-uninfected women reporting condomless vaginal or anal intercourse with at least 1 man with HIV infection or unknown serostatus within 90 days. Intervention: MVC only, MVC-emtricitabine (FTC), MVC-tenofovir disoproxil fumarate (TDF), and TDF-FTC (control). Measurements: At each visit, clinical and laboratory (including HIV) assessments were done. Primary outcomes were grade 3 and 4 adverse events and time to permanent discontinuation of the study regimen. All randomly assigned participants were analyzed according to their original assignment. Results: Among 188 participants, 85% completed follow-up, 11% withdrew early, and 4% were lost to follow-up; 19% discontinued their regimen prematurely. The number discontinuing and the time to discontinuation did not differ among regimens. Grade 3 or 4 adverse events occurred in 5 (MVC), 13 (MVC-FTC), 9 (MVC-TDF), and 8 (TDF-FTC) participants; rates did not differ among regimens. One death (by suicide) occurred in the MVC-TDF group but was judged not to be related to study drugs. Of available plasma samples at week 48 (n = 126), 60% showed detectable drug concentrations. No new HIV infections occurred. Limitations: Participants were not necessarily at high risk for HIV infection. The regimen comprised 3 pills taken daily. The study was not powered for efficacy. Conclusion: Maraviroc-containing PrEP regimens were safe and well-tolerated compared with TDF-FTC in U.S. women. No new HIV infections occurred, although whether this was due to study drugs or low risk in the population is uncertain. Maraviroc-containing PrEP for women may warrant further study. Primary Funding Source: National Institutes of Health.
[Mh] Termos MeSH primário: Cicloexanos/efeitos adversos
Cicloexanos/uso terapêutico
Inibidores da Fusão de HIV/efeitos adversos
Inibidores da Fusão de HIV/uso terapêutico
Infecções por HIV/prevenção & controle
Profilaxia Pré-Exposição
Triazóis/efeitos adversos
Triazóis/uso terapêutico
[Mh] Termos MeSH secundário: Adolescente
Adulto
Método Duplo-Cego
Feminino
Seguimentos
Seres Humanos
Meia-Idade
Pacientes Desistentes do Tratamento
Estudos Prospectivos
Resultado do Tratamento
Adulto Jovem
[Pt] Tipo de publicação:CLINICAL TRIAL, PHASE II; JOURNAL ARTICLE; RANDOMIZED CONTROLLED TRIAL
[Nm] Nome de substância:
0 (Cyclohexanes); 0 (HIV Fusion Inhibitors); 0 (Triazoles); MD6P741W8A (maraviroc)
[Em] Mês de entrada:1709
[Cu] Atualização por classe:171104
[Lr] Data última revisão:
171104
[Sb] Subgrupo de revista:AIM; IM
[Da] Data de entrada para processamento:170823
[St] Status:MEDLINE
[do] DOI:10.7326/M17-0520


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[PMID]:28752545
[Au] Autor:Neogi I; Bruno A; Bahulayan D; Goh TW; Ghosh B; Ganguly R; Cortecchia D; Sum TC; Soci C; Mathews N; Mhaisalkar SG
[Ad] Endereço:Energy Research Institute, Nanyang Technological University, Research Techno Plaza, X-Frontier Block, Level 5, 50 Nanyang Drive, 637553, Singapore, Singapore.
[Ti] Título:Broadband-Emitting 2 D Hybrid Organic-Inorganic Perovskite Based on Cyclohexane-bis(methylamonium) Cation.
[So] Source:ChemSusChem;10(19):3765-3772, 2017 Oct 09.
[Is] ISSN:1864-564X
[Cp] País de publicação:Germany
[La] Idioma:eng
[Ab] Resumo:A new broadband-emitting 2 D hybrid organic-inorganic perovskite (CyBMA)PbBr based on highly flexible cis-1,3-bis(methylaminohydrobromide)cyclohexane (CyBMABr) core has been designed, synthesized, and investigated, highlighting the effects of stereoisomerism of the templating cation on the formation and properties of the resulting perovskite. The new 2 D material has high exciton binding energy of 340 meV and a broad emission spanning from 380 to 750 nm, incorporating a prominent excitonic band and a less intense broad peak at room temperature. Significant changes in the photoluminescence (PL) spectrum were observed at lower temperatures, showing remarkable enhancement in the intensity of the broadband at the cost of excitonic emission. Temperature-dependent PL mapping indicates the effective role of only a narrow band of excitonic absorption in the generation of the active channel for emission. Based on the evidences obtained from the photophysical investigations, we attributed the evolution of the broad B-band of (CyBMA)PbBr to excitonic self-trapped states.
[Mh] Termos MeSH primário: Compostos de Cálcio/química
Cicloexanos/química
Metilaminas/química
Óxidos/química
Titânio/química
[Mh] Termos MeSH secundário: Luminescência
Modelos Moleculares
Conformação Molecular
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Calcium Compounds); 0 (Cyclohexanes); 0 (Methylamines); 0 (Oxides); 12194-71-7 (perovskite); 48K5MKG32S (Cyclohexane); BSF23SJ79E (methylamine); D1JT611TNE (Titanium)
[Em] Mês de entrada:1711
[Cu] Atualização por classe:171106
[Lr] Data última revisão:
171106
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:170729
[St] Status:MEDLINE
[do] DOI:10.1002/cssc.201701227


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[PMID]:28636951
[Au] Autor:Zheng Y; Han GW; Abagyan R; Wu B; Stevens RC; Cherezov V; Kufareva I; Handel TM
[Ad] Endereço:University of California, San Diego, Skaggs School of Pharmacy and Pharmaceutical Sciences, La Jolla, CA 92093, USA.
[Ti] Título:Structure of CC Chemokine Receptor 5 with a Potent Chemokine Antagonist Reveals Mechanisms of Chemokine Recognition and Molecular Mimicry by HIV.
[So] Source:Immunity;46(6):1005-1017.e5, 2017 Jun 20.
[Is] ISSN:1097-4180
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:CCR5 is the primary chemokine receptor utilized by HIV to infect leukocytes, whereas CCR5 ligands inhibit infection by blocking CCR5 engagement with HIV gp120. To guide the design of improved therapeutics, we solved the structure of CCR5 in complex with chemokine antagonist [5P7]CCL5. Several structural features appeared to contribute to the anti-HIV potency of [5P7]CCL5, including the distinct chemokine orientation relative to the receptor, the near-complete occupancy of the receptor binding pocket, the dense network of intermolecular hydrogen bonds, and the similarity of binding determinants with the FDA-approved HIV inhibitor Maraviroc. Molecular modeling indicated that HIV gp120 mimicked the chemokine interaction with CCR5, providing an explanation for the ability of CCR5 to recognize diverse ligands and gp120 variants. Our findings reveal that structural plasticity facilitates receptor-chemokine specificity and enables exploitation by HIV, and provide insight into the design of small molecule and protein inhibitors for HIV and other CCR5-mediated diseases.
[Mh] Termos MeSH primário: Quimiocina CCL5/química
Proteína gp120 do Envelope de HIV/química
Infecções por HIV/imunologia
HIV-1/fisiologia
Modelos Moleculares
Mimetismo Molecular
Receptores CCR5/química
[Mh] Termos MeSH secundário: Animais
Antagonistas dos Receptores CCR5/química
Antagonistas dos Receptores CCR5/farmacologia
Quimiocina CCL5/metabolismo
Clonagem Molecular
Cristalografia por Raios X
Cicloexanos/química
Cicloexanos/farmacologia
Proteína gp120 do Envelope de HIV/metabolismo
Inibidores da Fusão de HIV/química
Infecções por HIV/tratamento farmacológico
Seres Humanos
Ligação Proteica
Conformação Proteica
Receptores CCR5/metabolismo
Células Sf9
Spodoptera
Relação Estrutura-Atividade
Triazóis/química
Triazóis/farmacologia
Internalização do Vírus/efeitos dos fármacos
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (CCR5 Receptor Antagonists); 0 (Chemokine CCL5); 0 (Cyclohexanes); 0 (HIV Envelope Protein gp120); 0 (HIV Fusion Inhibitors); 0 (Receptors, CCR5); 0 (Triazoles); MD6P741W8A (maraviroc)
[Em] Mês de entrada:1709
[Cu] Atualização por classe:170915
[Lr] Data última revisão:
170915
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:170622
[St] Status:MEDLINE



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