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In Silico and in Vitro Analysis of Pyrazolone Derivatives against Zika Virus and Identification of Potential NS5 Methyltransferase Inhibitors by Molecular Docking

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Journal of Biosciences and Medicines 2024年第7期12卷 214-229页

作者： Luciene Soares Silva Tiago Soares Barbosa maria Leonisa Sanchez-Nuñez Aldenise Mont Serrat Rosa da Silva Vitor Won-Held Rabelo Leonardo dos Santos Corrêa Amorim Leonardo Alves Miceli Percilene Fazolin Vegi Alice Bernardino Helena carla Castro Izabel Christina Nunes de Palmer Paixão Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niteri Brazil Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Antibiotics Biochemistry Teaching and Molecular Modeling Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Organic Chemistry at the Institute of Chemistry Institute of Biology Fluminense Federal University Niterói Brazil

Zika virus (ZIKV), a mosquito-borne flavivirus, has been associated with benign infections for decades. However, it has become a public health concern due to its association with severe fetal and neurological complications. Although many efforts have been made to control ZIKV infection, approved vaccines or antiviral drugs are still lacking. Consequently, the development of new effective anti-ZIKV agents is urgently needed. In this context, we investigated the antiviral potential of pyrazolone derivatives against ZIKV replication using in silico and in vitro methods. The four pyrazolone derivatives evaluated (1a, 1b, 1c, and 1d) inhibited over 50% of ZIKV replication with low cytotoxicity. Among them, compound 1b exhibited the most potent activity (EC50 = 4.3 μM) and the highest selectivity (SI = 342). Mechanism of action studies indicated that these compounds act at early stages of virus replication, and compound 1b can also directly inactivate ZIKV particles. Molecular docking studies suggested that these compounds can bind to and block the activity of ZIKV NS5 methyltransferase. Finally, pharmacokinetic and toxicological predictions have reinforced the safety and drug-like profiles of these derivatives. In conclusion, the pyrazolone scaffold proved to be valuable for anti-ZIKV drug development, and the derivatives studied deserve further investigation.

关键词： Zika Pyrazolone NS5 Methyltransferase Antivirals

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Advancing perioperative optimization in Crohn's disease surgery with machine learning predictions

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World Journal of Gastrointestinal Surgery 2024年第10期16卷 3091-3093页

作者： Olga maria Nardone Fabiana Castiglione Simone Maurea Department of Public Health University of Naples Federico IINaples 80131Italy Department of Clinical Medicine and Surgery University of Naples Federico IINaples 80131Italy Department of Advanced Biomedical Sciences University of Naples Federico IINaples 80131Italy

This editorial offers commentary on the article which aimed to forecast the likelihood of short-term major postoperative complications(Clavien-Dindo grade≥III),including anastomotic fistula,intra-abdominal sepsis,bleeding,and intestinal obstruction within 30 days,as well as prolonged hospital stays follow-ing ileocecal resection in patients with Crohn’s disease(CD).This prediction re-lied on a machine learning(ML)model trained on a cohort that integrated a no-mogram predictive model derived from logistic regression analysis and a random forest(RF)*** the nomogram and RF showed good performance,with the RF model demonstrating superior predictive *** variables identified as potentially critical include a preoperative CD activity index≥220,low preope-rative serum albumin levels,and prolonged operation *** ML ap-proaches to predict surgical recurrence have the potential to enhance patient risk stratification and facilitate the development of preoperative optimization strate-gies,ultimately aiming to improve post-surgical ***,there is still room for improvement,particularly by the inclusion of additional relevant clinical parameters,consideration of medical therapies,and potentially integrating mole-cular biomarkers in future research efforts.

关键词： Crohn's disease Surgery Postoperative complications Ileocecal resection Machine learning

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我该穿什么

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空中英语教室（初级版．大家说英语） 2024年第6期 12-15,56,51页

作者： maria Chiu 不详

Clothes can be formal or *** people dress up if they're going to an important *** may wear a fancy dress or suit to a wedding ora dinner *** often wear casual clothes to school or *** and women may wear pants andashirt.

关键词： wear dress formal

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Patterns and Timing in Expression of Early Auxin-Induced Genes Imply Involvement of Phospholipases A （pPLAs） in the regulation of Auxin responses

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Molecular Plant 2013年第5期6卷 1473-1486页

作者： Corinna Labusch maria Shishova Yunus Effendi Maoyin Li Xuemin Wang Gunther re. Scherera Leibniz Universit&t Hannover Institut for Zierpflanzenbau und Geh61zwissenschaften Abt. Molekulare Ertragsphysiologie Herrenhauser Str. 2 D-30419 Hannover Germany Department of Plant Physiology and Biochemistry State University of St. Petersburg Universitetskaya em. 7/9 St. Petersburg 199034 Russia Department of Biology University of Missouri St Louis MO 63121 USA Donald Danforth Plant Science Center St Louis MO 63132 USA

While it is known that patatin-related phospholipase A （pPLA） activity is rapidly activated within 3min by auxin, hardly anything is known about how this signal influences downstream responses like transcription of early auxin-induced genes or other physiological responses. We screened mutants with T-DNA insertions in members of the pPLA gene family for molecular and physiological phenotypes related to auxin. Only one in nine Arabidopsis thaliana ppla knockdown mutants displayed an obvious constitutive auxin-related phenotype. Compared to wild-type, ppla-IIlδ mutant seedlings had decreased main root lengths and increased lateral root numbers. We tested auxin-induced gene expression as a molecular readout for primary molecular auxin responses in nine ppla mutants and found delayed up- regulation of auxin-responsive gene exRression in all of themL Thirty minutes after auxin treatment, up-regulation of up to 40% of auxin-induced genes was delayed in mutant seedlings. We observed only a few cases with hypersensitive auxin-induced gene expression in ppla mutants. While, in three ppla mutants, which were investigated in detail, rapid up- regulation （as early as 10 min after auxin stimulus） of auxin-regulated genes was impaired, late transcriptional responses were wild-type-like. This regulatory or dynamic phenotype was consistently observed in different ppla mutants with delayed up-regulation that frequently affected the same genes. This defect was not affected by pPLA transcript levels which remained constant. This indicates aposttranslational mechanism as a functional link of pPLAs to auxin signaling. The need for a receptor triggering an auxin response without employing transcription regulation is discussed.

关键词： hormonal regulation hormone biology signal transduction.

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The Triple Combination of Meropenem,Avibactam,and a Metallo-β-Lactamase Inhibitor Optimizes Antibacterial Coverage Against Different β-Lactamase Producers

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Engineering 2024年第7期38卷 124-132页

作者： Zhuoren Ling Alistair James Macdonald Farley Aditya Lankapalli Yanfang Zhang Shonnette Premchand-Branker Kate Cook Andrei Baran Charlotte Gray-Hammerton Claudia Orbegozo Rubio Edgars Suna Jordan Mathias Jürgen Brem Kirsty Sands maria Nieto-Rosado maria Mykolaivna Trush Nadira Naznin Rakhi Willames Martins Yuqing Zhou Christopher Joseph Schofield Timothy Walsh Department of Biology&Ineos Oxford Institute for Antimicrobial research University of OxfordOxford OX13REUK Chemistry research Laboratory Department of Chemistry and the Ineos Oxford Institute for Antimicrobial ResearchUniversity of OxfordOxford OX13TAUK Latvian Institute of Organic Synthesis Riga LV-1006Latvia Department of Medical Microbiology Division of Infection and ImmunitySchool of MedicineCardiff UniversityCardiff CF144XNUK Enzymology and Applied Biocatalysis research Center Faculty of Chemistry and Chemical EngineeringBabes-Bolyai UniversityCluj-Napoca 400028Romania

This work explores the potential of a triple combination of meropenem(MEM),a novel metallo-blactamase(MBL)inhibitor(indole-2-carboxylate 58(InC58)),and a serine-b-lactamase(SBL)inhibitor(avibactam(AVI))for broad-spectrum activity against carbapenemase-producing bacteria.A diverse panel comprising MBL-and SBL-producing strains was used for susceptibility testing of the triple combination using the agar dilution *** frequency of resistance(FoR)to MEM combined with InC58 was *** were sequenced and tested for cross resistance,fitness,and the stability of the resistance *** with the double combinations of MEM plus an SBL or MBL inhibitor,the triple combination extended the spectrum of activity to most of the isolates bearing SBLs(oxacillinase-48(OXA-48)and Klebsiella pneumoniae carbapenemase-2(KPC-2))and MBLs(New Delhi metallo-blactamases(NDMs)),although it was not effective against Verona integron-encoded metallo-blactamase(VIM)-carrying Pseudomonas aeruginosa(***)and OXA-23-carrying Acinetobacter baumannii(***).The FoR to MEM plus InC58 ranged from 2.22×10^(-7)to 1.13×10^(-6).The resistance correlated with mutations to ompC and comR,affecting porin C and copper permeability,*** mutants manifested a fitness cost,a decreased level of resistance during passage without antibiotic pressure,and cross resistance to another carbapenem(imipenem)and a b-lactamase inhibitor(taniborbactam).In conclusion,compared with the dual combinations,the triple combination of MEM with InC58 and AVI showed a much wider spectrum of activity against different carbapenemaseproducing bacteria,revealing a new strategy to combat b-lactamase-mediated antimicrobial resistance.

关键词： Carbapenemase Metallo/serine-b-lactamase inhibitor Avibactam Meropenem Antimicrobial resistance

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World Journal of Gastroenterology 2022年第12期28卷 1226-1238页

作者： Nadia Marascio Salvatore Rotundo Angela Quirino Giovanni Matera maria carla Liberto Chiara Costa Alessandro Russo Enrico maria Trecarichi Carlo Torti Department of Health Sciences Unit of MicrobiologyUniversity“Magna Graecia”of CatanzaroCatanzaro 88100Italy Department of Medical and Surgical Sciences Unit of Infectious and Tropical Diseases"Magna Graecia"University of CatanzaroCatanzaro 88100Italy

Hepatitis E virus(HEV)and hepatitis C virus(HCV)are both RNA viruses with a tropism for liver parenchyma but are also capable of extrahepatic *** E is usually a viral acute fecal-oral transmitted and self-limiting disease presenting with malaise,jaundice,nausea and ***,HEV causes a chronic infection in immunocompromised persons and severe fulminant hepatitis in pregnant *** HCV infection is typically asymptomatic for decades until chronic complications,such as cirrhosis and cancer,*** being two very different viruses in terms of phylogenetic and clinical presentations,HEV and HCV show many similarities regarding possible transmission through organ transplantation and blood transfusion,pathogenesis(production of antinuclear antibodies and cryoglobulins)and response to treatment with some direct-acting antiviral *** both HEV and HCV are well studied individually,there is a lack of knowledge about coinfection and its *** aim of this review is to analyze current literature by evaluating original articles and case reports and to hypothesize some interactions that can be useful for research and clinical practice.

关键词： Hepatitis C virus Hepatitis E virus Co-infection Genomic variability Extrahepatic diseases Vaccine

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Minimally invasive surgical therapies(MISTs)for lower urinary tract symptoms(LUTS):promise or panacea?

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Asian Journal of Andrology 2024年第2期26卷 135-143页

作者： Gian maria Busetto Andrea Checchia Marco recchia Edoardo Tocci Ugo G Falagario Gennaro Annunziata Pasquale Annese Nicola d'Altilia Vito Mancini Matteo Ferro Felice Crocetto Octavian Sabin Tataru Luca Di Gianfrancesco Angelo Porreca Francesco Del Giudice Ettore De Berardinis Carlo Bettocchi Luigi Cormio Giuseppe Carrieri University of Foggia Foggia 71122Italy Department of Urology and renal Transplantation Policlinico of FoggiaFoggia 71122Italy Urology Unit "G.Tatarlla"HospitalCerignola 71042Italy Urology Unit European Institute of Oncology(IE0)IRCcSMilan 20141Italy University of Naples Federico Il Naples 80126Italy G.E.Palade University of Medicine PharmacyScienceand Technology of Targu MuresTargu Mures 540142Romania Department of Oncological Urology Veneto Institute of Oncology(IOv)IRccSPadua 35128Italy Department of Maternal-Infant and Urological Sciences Sapienza Rome UniversityRoma 00161Italy Urology Unit "L.Bonomo"HospitalAndria 76123Italy

The increasing importance of treatment of lower urinary tract symptoms(LUTS),while avoiding side effects and maintaining sexual function,has allowed for the development of minimally invasive surgical therapies(MiSTs).recently,the European Association of Urology guidelines reported a paradigm shift from the management of benign prostatic hyperplasia(BPH)to the management of nonneurogenic male *** aim of the present review was to evaluate the efficacy and safety of the most commonly used MisTs:ablative techniques such as aquablation,prostatic artery embolization,water vapor energy,and transperineal prostate laser ablation,and nonablative techniques such as prostatic urethral lift and temporarily implanted nitinol device(iTIND).MiSTs are becoming a new promise,even if clinical trials with longer follow-up are still *** of them are still under investigation and,to date,only a few options have been given as a recommendation for *** cannot be considered as standard of care and are not suitable for all *** and disadvantages should be underlined,without forgetting our objective:treatment of LUTS and re-treatment avoidance.

关键词： aquablation iTIND prostatic artery embolization prostatic urethral lift transperineal prostate laser ablation water vapor energy

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recurrence in node-negative advanced gastric cancer:Novel findings from an in-depth pathological analysis of prognostic factors from a multicentric series

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World Journal of Gastroenterology 2017年第45期23卷 8000-8007页

作者： Gian Luca Baiocchi Sarah Molfino carla Baronchelli Simone Giacopuzzi Daniele Marrelli Paolo Morgagni maria Bencivenga Luca Saragoni carla Vindigni Nazario Portolani Maristella Botticini Giovanni De Manzoni Department of Clinical and Experimental Sciences University of Brescia Department of Pathology Spedali Civili di Brescia 1st Department of General Surgery Borgo Trento HospitalUniversity of Verona Department of Human Pathology and Oncology Surgical OncologyUniversity of Siena Department of General Surgery Morgagni-Pierantoni Hospital Department of Pathology Morgagni-Pierantoni Hospital Department of Pathology Azienda Ospedaliera Universitaria Senese IGIER Università Bocconi

AIM To analyze the clinicopathological characteristics of patients with both node-negative gastric carcinoma and diagnosis of recurrence during follow-up. METHODS We enrolled 41 patients treated with curative gastrectomy for p T2-4 a N0 gastric carcinoma between 1992 and 2010,who developed recurrence(Group 1). We retrospectively selected this group from the prospectively collected database of 4 centers belonging to the Italian research Group for Gastric Cancer,and compared them with 437 p T2-4 a N0 patients without recurrence(Group 2). We analyzed lymphatic embolization,microvascular infiltration,perineural infiltration,and immunohistochemical determination of p53,Ki67,and HER2 in Group 1 and in a subgroup of Group 2(Group 2 bis) of 41 cases matched with Group 1 according to demographic and pathological characteristics. reSULTS T4 a stage and diffuse histotype were associated with recurrence in the group of p N0 patients. In-depth pathological analysis of two homogenous groups of p N0 patients,with and without recurrence during longterm follow-up(groups 1 and 2 bis),revealed two striking patterns: lymphatic embolization and perineural infiltration(two parameters that pathologists can easily report),and p53 and Ki67,represent significant factors for *** The reported pathological features should be considered predictive factors for recurrence and could be useful to stratify node-negative gastric cancer patients for adjuvant treatment and tailored follow-up.

关键词： N0 gastric cancer recurrence Prognostic factors Pathological analysis Lymphatic embolization Perineural infiltration p53 Ki67

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Groundwater Management in Urban-coastal Aquifers of Developing Countries:Geochemical Based Study of the region of Dakar(Senegal)

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地学前缘 2009年第S1期16卷 8-9页

作者： Viviana re Elisa Sacchi Seynabou Cissé-Faye Giovanni maria Zuppi Department of Environmental Sciences University Ca' Foscari of Venice Department of Earth Sciences University of Pavia Department of Geology University Cheikh Anta Diop of Dakar CNR-Institution of Environmental Geology and Geoingeneering

The rapid increase of urban population in coastal areas of developing countries is nowadays a widespread phenomenon that has several environmental, economical and social *** migration, spread of informal suburban sett... 详细信息

关键词： groundwater coastal aquifers isotopes water management Senegal

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reply to"Six-minute walking test performance is associated with survival in cirrhotic patients"to the editor

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World Journal of Hepatology 2022年第5期14卷 1047-1049页

作者： carla Malaguti Carlos Alberto Mourão-Junior Júlio maria Chebli Departament of Cardiorespiratory and Skeletal Muscle Universidade Federal de Juiz de ForaJuiz de Fora 36036-634Minas GeraisBrazil Department of Physiology Universidade Federal de Juiz de ForaJuiz de Fora 36036-634Minas GeraisBrazil Department of Medicine Universidade Federal de Juiz de ForaJuiz de Fora 36036-634Minas GeraisBrazil

Use of the six-minute walk test has been proposed as a prognostic marker in liver *** the Letter to the Editor presented here,the authors highlight some important points,which were raised after the article was publish... 详细信息

关键词： Six-minute walking test Liver cirrhosis Hospital admission and mortality

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