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Chinese Journal of Chemistry 2012年第10期30卷 2285-2291页

作者：刘湘陈永欣李康宁王东陈保华 State Key Laboratory of Applied Organic Chemistry Lanzhou UniversityLanzhouGansu 730000China Key Laboratory of Nonferrous Metal Chemistry and Resources Utilization of Gansu Province LanzhouGansu 730000China

A new approach to synthesize N-alkylation of azoles by iron（III）-catalyst under solvent-free conditions was de- veloped. The method is broad in scope and highly efficient.

关键词： azoles N-alkylation solvent-free iron catalyst C--H activation

Cul/8-Hydroxyquinalidine Promoted N-Arylation of Indole and azoles

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Chinese Journal of Chemistry 2012年第4期30卷 875-880页

作者：杨新业邢辉张烨赖宜生张奕华蒋咏文马大为 Center of Drug Discovery China Pharmaceutical UniversityNanjing 210009China State Key Laboratory of Bioorganic and Natural Products Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China

An efficient catalytic system of CuI/8-hydroxyquinalidine was developed for the coupling of aryl iodides and indole as well as some azoles. The reaction could be carried out at 90 ~C under the condition of relatively low cata- lyst loading, affording various N-arylindoles and N-aryl azoles in good yields. The functionalized and hindered aryl iodides were suitable substrates for this transformation.

关键词： copper Ullmann reaction 8-hydroxyquinalidine cross-coupling indole azoles

<i>In-Vitro</i>Comparison of Antifungal Activity of Herbs (Darehald and Pomegranate) with azoles

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International Journal of Clinical Medicine 2018年第9期9卷 703-715页

作者： Rabeea Rizwan Shehla Shaheen Zahida Memon Faisal Afridi Mubarak Zaib Department of Pharmacology Ziauddin Medical College Karachi Pakistan Department of Microbiology Ziauddin University Hospital Karachi Pakistan

Aim: Candida, an opportunistic organism is one of the commonest causes of hospital acquired infections among fungi. Currently available antifungal drugs have numerous adverse effects and drug-drug interactions (DDIs) along with increase in resistance over the time. Therefore, it is highly emergent to consider alternative treatments for candidal infections, having fewer adverse effects and is cost-effective. The current in-vitro study is undertaken to assess and compare the antifungal effects of the herbs, Berberis aristata (B. aristata, Darehald/Darhald) and Punica granatum (P. granatum, Pomegranate) with fluconazole and voriconazole, based on culture and sensitivity of candidal isolates. Materials and Methods: Ethanolic extracts of herbs (Berberis aristata and Punica granatum) and concentrations were formulated as per standard procedure. 130 samples were obtained for the study from in and out patients reported in clinical subsets of Ziauddin Hospital, Karachi from March to May, 2018. Samples were collected and grown according to the standard procedures like, wet mount test and gram’s staining. Species were identified by CHROM agar candida and API 20 C AUX methods. Sensitivity tests were performed by Kirby Bauer’s disc diffusion method according to CLSI guide lines M-44 A2, 2009. Data analysis was done by one-way ANOVA to compare the antifungal activities of drugs and herbs. Results: Mean inhibitory zones of herbs, B. aristata and P. granatum were highly significant against clinical candidal isolates with respective p-values of 0.00 and 0.02. Both of the herbs, B. aristata and P. granatum were found to be more sensitive, 98.5% and 97.7% respectively in comparison to fluconazole showing 42.3% and voriconazole showing 29.2% sensitivity against candidal isolates. The most resistant candidal specie was C. tropicalis that showed resistance against both fluconazole and voriconazole, contrary to that, this specie was highly sensitive to both of the herbs, showing sensitivi

关键词： Candida Fungi azoles Antifungal Sensitivity Antifungals Berberis aristata Punica granatum Pomegranate Darhald Darehald

Alkylene-functionality in bridged and fused nitrogen-rich poly-cyclic energetic materials:Synthesis,structural diversity and energetic properties

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Defence Technology（防务技术） 2024年第5期35卷 18-46页

作者： Man Xu Nanxi Xiang Ping Yin Qi Lai Siping Pang School of Materials Science&Engineering Beijing Institute of TechnologyBeijing 100081China Beijing Institute of Technology Chongqing Innovation Center Chongqing 401120China

From the standpoint of chemical structures,the organic backbones of energetic materials can be classified into aromatic rings,nonaromatic rings,and open *** the category of aromatic energetic compounds exhibits several advantages in the regulation of energetic properties,the nonaromatic heterocycles,assembling nitramino explosophores with simple alkyl bridges,still have prevailed in benchmark *** methylene bridge plays a pivotal role in the constructions of the classic nonaromatic heterocycle-based energetic compounds,e.g.,hexahydro-1,3,5-trinitro-1,3,5-triazine(RDX)and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine(HMX),whereas ethylene bridge is the core moiety of state-of-the-art explosive 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20).In this context,it is of great interest to employ simple and practical bridges to assemble aromatic and nonaromatic nitrogen-rich heterocycles,thereby expanding the structural diversity of energetic materials,e.g.,bridged and fused nitrogen-rich ***,alkyl-bridged poly-heterocycles highlight the potential for the open chain type of energetic *** this review,the development of alkyl bridges in linking nitrogen-rich heterocycles is presented,and the perspective of the newly constructed energetic backbones is summarized for the future design of advanced energetic materials.

关键词： Energetic materials Alkyl bridge strategy Nitrogen-rich azoles Fused heterocycles azoles

Synthesis, Crystal Structure and Catalytic Activity of a Hexa-μ-chloro-tetrakis-(1-triphenylmethyltriazole)-μ4-oxo-tetracopper(Ⅱ)

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Chinese Journal of Structural Chemistry 2021年第4期40卷 482-486,407页

作者： ZHANG Hui-Xin ZHANG Meng-Yao ZHANG Ying-Ying ZENG Yong-Fei LIU Gui-Yan Tianjin Key Laboratory of Structure and Performance for Functional Molecules Key Laboratory of Inorganic-organic Hybrid Functional Material Chemistry(Ministry of Education)College of ChemistryTianjin Normal UniversityTianjin 300387China

A new Cu(Ⅱ) complex,[Cu_(4)Cl_(6)O(1-TrTz)_(4)]where 1-TrTz is 1-trityl-1H-[1,2,4]triazole,was synthesized by the reaction of 1-trityl-1H-[1,2,4]triazole with two hydrated cupric chlorides,and its structure was characterized by X-ray single-crystal diffraction.[Cu4Cl6O(1-TrTz)4]is of monoclinic system,space group P21/c,a=12.5024(13),b=26.400(3),c=28.588(3)A,β=112.807(4)°,V=8698.1(16)A^(3),Z=4,ρcalc=1.411 g/cm^(3),μ=1.265 mm^(–1),F(000)=3772,the final R=0.1293 and w R=0.3644 for 55774 observed reflections (I>2s(I)),R(all data)=0.1972,w R(all data)=0.3989,completeness to theta of 25.242 is 99.9%and GOF=*** the structure of[Cu_(4)Cl_(6)O(1-TrTz)_(4)],the central O atom is tetrahedral and is coordinated with four Cu *** distance between copper and oxygen bond is 1.909(6)*** addition,the catalytic property of this complex was investigated and it could effectively catalyze the Ullmann coupling reaction of various (hetero)aryl chlorides with azoles.

关键词： Cu(II)complex 1-trityl-1H-[1 2 4]triazole Ullmann coupling reaction azoles

Efficacy of voriconazole on leishmaniasis by Leishmania major: An in vitro and in vivo study

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Asian Pacific Journal of Tropical Medicine 2018年第10期11卷 562-569页

作者： Ahmad Oryan Somayeh Bahrami Effat Bemani Department of Pathology School of Veterinary Medicine Shiraz University Department of Parasitology Faculty of Veterinary Medicine Shahid Chamran University of Ahvaz

Objective: To appraise the activity of voriconazole against Leishmania major(L. major) in vitro and its effectiveness on wound regeneration in cutaneous leishmaniasis in BALB/c mice Methods: The IC_(50) of voriconazole against promastigotes and intra-macrophage amastigotes of L. major was investigated in vitro. The in vivo study was performed by treating the L. major infected BALB/c mice. When the wounds appeared in the base of tail, treatment was started by administration of 30 mg/kg voriconazole for 28 consecutive days orally. Results: The IC_(50) of voriconazole against promastigotes and intra-macrophage amastigotes were 0.74 and 0.89μM, respectively. Voriconazole decreased lipid peroxidation and IL-6 level. Histopathologica findings indicated accelerated healing in the voriconazole treated group compared to other groups. Conclusions: Our results demonstrate that voriconazole can be an option in treating the cutaneous leishmaniasis by L. major.

关键词： Leishmania major Wound healing azoles Voriconazole Histopathology

Arylated analogues of cypronazole: fungicidal effect and activity on human fibroblasts. Docking analysis and molecular dynamics simulations

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Natural Products and Bioprospecting 2022年第1期12卷 107-120页

作者： Natividad Herrera Cano Sebastian A.Andujar Cristina Theoduloz Daniel A.Wunderlin Ana N.Santiago Guillermo Schmeda-Hirschmann Ricardo D.Enriz Gabriela E.Feresin Instituto de Biotecnología Facultad de IngenieríaUniversidad Nacional de San JuanCONICET-CCT San JuanAv.Libertador General San Martín1109(O)5400 San JuanArgentina Facultad de Química Bioquímica y Farmacia-IMIBIO-SL(CONICET)Universidad Nacional de San LuisChacabuco 9155700 San LuisArgentina Laboratorio de Cultivo Celular Facultad de Ciencias de la SaludUniversidad de TalcaCasilla 7473460000 TalcaChile ICYTAC CONICET and Universidad Nacional de CórdobaFacultad de Ciencias QuímicasDepartamentoQuímica OrgánicaCiudad UniversitariaBv.Juan Filloy s/n5000 CórdobaArgentina INFIQC CONICET and Universidad Nacional de CórdobaFacultad de Ciencias QuímicasDepartamento Química OrgánicaCiudad UniversitariaHaya de La Torre S/N5000 CórdobaArgentina Laboratorio de Química de Productos Naturales Instituto de Química de Recursos NaturalesUniversidad de TalcaCasilla 7473460000 TalcaChile

Triadimefon(TDM)and cyproconazole(CPZ)are two triazoles widely used as *** azoles were synthe-sised starting from commercial TDM and *** compounds were evaluated against phytopathogenic filamentous fungi,including Aspergillus fumigatus(AF),***(AN),***(AU),***(AJ),***(AT),Fusarium oxyspo-rum and Botrytis cinerea isolated from grapevine in the province of San Juan,*** of the synthesised compounds(1-(Biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one,1;2-(Biphenyl-4-yl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol,3;3-Cyclopropyl-2-(4’-fluorobiphenyl-4-yl)-1-(1H-1,2,4-triazol1-yl)butan-2-ol,4)presented remarkable in vitro fungicidal properties,with better effects than TDM and CPZ on some of the target *** was assessed using human lung fibroblasts *** 1,with IC50 values of 389.4μM,was less toxic towards MRC-5 human lung fibroblasts than commercial TDM(248.5μM)and CPZ(267.4μM).Docking analysis and molecular dynamics simulations suggest that the compounds present the same interaction in the binding pocket of the CYP51B enzyme and with the same amino acids as *** derivatives investigated could be considered broad-spectrum but with some selectivity towards imperfect fungi.

关键词： azoles Antifungal cytotoxicity Conformational and electronic analysis

ERG11 mutations associated with azole resistance in Candida albicans isolates from vulvovaginal candidosis patients

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Asian Pacific Journal of Tropical Biomedicine 2015年第11期5卷 909-914页

作者： Bin Wang Li-Hua Huang Ji-Xue Zhao Man Wei Hua Fang Dan-Yang Wang Hong-Fa Wang Ji-Gang Yin Mei Xiang The Second Hospital of Jilin University Key Lab of ZoonosisMinistry of Education The First Hospital of Jilin University Shandong Institute of Parasitic Diseases Key Lab of Zoonosis Ministry of EducationInstitute of ZoonosisJilin University

Objective: To investigate the azole susceptibility of Candida albicans(***)from vulvovaginal candidosis patients and to analyze the relationship between ERG11 gene mutations in these isolates and azole ***: Three hundred and two clinical isolates of Candida species were *** susceptibility was tested in vitro in microdilution studies. The ERG11 genes of 17 isolates of C. albicans(2 susceptibles, 5 dose-dependent resistants and 10 resistants) were amplified and ***: Of the 302 isolates collected, 70.2% were C. albicans, of which 8.5%, 3.8% and4.2% were resistant to fluconazole, itraconazole and voriconazole, respectively. In total,27 missense mutations were detected in ERG11 genes from resistant/susceptible dosedependent isolates. Among them, Y132 H, A114 S, and Y257 H substitutions were most prevalent and were known to cause fluconazole resistance. G464 S and F72 S also have been proved to cause fluconazole resistance. Two novel substitutions(T285A, S457P) in hotspot regions were ***: Twenty seven mutations in the ERG11 gene were identified in azoleresistant C. albicans isolates, which indicated a possible relation with the increase in resistance to azole drugs and the recurrence of vulvovaginal candidosis. The relationship of two novel substitutions(T285A, S457P) with fluconazole resistance needs to be further verified by site-directed mutagenesis.

关键词： Candida albicans azoles resistance ERG11 gene Muta