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Structure-based design and optimization lead to the identification of novel dihydrothiopyrano[3,2-d]pyrimidine derivatives as potent HIV-1 inhibitors against drug-resistant variants

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Acta Pharmaceutica Sinica B 2024年第3期14卷 1257-1282页

作者： Zhao Wang Heng Zhang Zhen Gao Zihao Sang Erik De Clercq christophe.Pannecouque Dongwei Kang Peng Zhan Xinyong Liu Department of medicinal Chemistry Key Laboratory of Chemical Biology(Ministry of Education)School of Pharmaceutical SciencesCheeloo College of MedicineShandong UniversityJinan 250012China Rega Institute for medical Research Laboratory of Virology and ChemotherapyK.U.LeuvenLeuven B-3000Belgium China-Belgium Collaborative Research Center for Innovative Antiviral Drugs of Shandong Province Jinan 250012China Suzhou Research Institute Shandong UniversitySuzhou 215123China

With our continuous endeavors in seeking potent anti-HIV-1 agents,we reported here the discovery,biological characterization,and druggability evaluation of a class of nonnucleoside reverse transcriptase *** fully explore the chemical space of the NNRTI-binding pocket,novel series of dihydrothiopyrano[3,2-d]pyrimidines were developed by employing the structure-based design *** of the derivatives were endowed with prominent antiviral activities against HIV-1 wild-type and resistant strains at nanomolar *** them,compound 23h featuring the aminopiperidine moiety was identified as the most potent inhibitor,with EC50values ranging from 3.43 to 21.4 nmol/***,for the challenging double-mutants F227L+V106A and K103N+Y181C,23h exhibited 2.3-to 14.5-fold more potent activity than the first-line drugs efavirenz and ***,the resistance profiles of 23h achieved remarkable improvement compared to efavirenz and *** binding target of 23h was further confirmed to be HIV-1 reverse *** modeling studies were also performed to elucidate the biological evaluation results and give guidance for the optimization ***,no apparent inhibition of the major CYP450 enzymes and hERG channel was observed for *** importantly,23h was characterized by good pharmacokinetic properties and excellent safety in ***,23h holds great promise as a potential candidate for its effective antiviral efficacy and favorable drug-like profiles.

关键词： HIV-1 Reverse transcriptase Dihydrothiopyrano[3,2-d]pyrimidine Antiviral agent

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The germline genetics of mild-to-moderate penetrance:An intriguing role of PRAmE in multiple carcinogenesis

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Genes & Diseases 2024年第3期11卷 7-10页

作者： Diaddin Hamdan Van Tai Nguyen Justine Paris christophe.Leboeuf morad El Bouchtaoui marc Espie Anne Janin Geraldine Falgarone melanie Di Benedetto Guithem Bousquet Universite de Paris Cite INSERMUMR_S942MASCOTParis F-75006France Hopital La Porte Verte Versailles F-78004France National Cancer Hospital Cancer Research and Clinical Trials CenterHaNoi100000VietNam AP-HP-Hopital Saint Louis Centre de Maladies du SeinParisF-75010France Universite Sorbonne Paris Nord Bobigny F-93000France AP-HP-Hopital Avicenne Unite de Medecine AmbulatoireBobigny F-93000France

Germline genetics of high penetrance such as BRCA genes,mutations might be sufficient for carcinogenesis,but this only explains fewer than 10%of *** assume that most cancers are the result of germline mutations of low to moderate penetrance,combined with acquired mutations due to external carcinogenic *** their accumulation over time,aging is associated with an increased risk of multiple cancer development in a given *** decades,germline genetics have been based on familial linkage studies enabling most high-penetrance genes to be *** recently,population-wide studies have led to the identification of considerable numbers of polymorphisms associated with cancer ***,most of them are of unknown functional value,thus limiting their translational application.

关键词： carcinogenesis BRCA linkage

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Profile of Factors of Arduous Work among Healthcare Professionals in Healthcare Facilities in Northern Benin in 2021

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occupational Diseases and Environmental medicine 2024年第1期12卷 41-48页

作者： Gounongbé Ahoya christophe.Fabien mama Cissé Ibrahim Lompo marthe Sandrine Azandjèmè Colette Bèhanzin Luc Faculty of medicine University of Parakou Parakou Benin Health Sciences Training and Research Unit Joseph Ki-Zerbo University Ouagadougou Burkina Faso Regional Institute of Public Health of ouidah University of Abomey-Calavi Abomey-Calavi Benin National Training School for Senior Technicians in Public Health and Epidemiological Surveillance University of Parakou Parakou Benin

Introduction: Work environments create the basis for arduous nursing work. This is what led us to research the factors of arduousness in the exercise of the health profession in North Benin, through this study. methods: This is a cross-sectional and descriptive study which focused on health professionals in the health zones of Parakou-N’dali and Tchaourou. The sampling was an exhaustive census. All health workers who had given their free and informed consent were included. The data was collected using a questionnaire. The variables studied were the factors of arduous work and socio-professional characteristics. The data collected was processed and analyzed with the Epi info 7.***.0.1 software. Results: A total of 692 were surveyed, the participation rate was 85.11% and the sex ratio (m/F) equal to 0.7. The average age was 38 years old. Nurses made up 32.66% of the sample. They were 86.42% subject to night work and 82.66% to alternating work. overall, 70.23% worked more than 40 hours per week. Between 78.12% and 96.46% of non-specialist doctors, nurses, midwives and biomedical analysis technicians were required to work night shifts. Nurses, midwives, radiology and laboratory technicians were between 89.53% and 97.35%, organized in alternating work. In the sample, 55.20% complained about the insufficient number of work materials, 26.29% handled harmful chemical substances. Among those surveyed, 58.14% had been attacked. Conclusion: All professional categories of caregivers are subject to arduous work. measures are needed to reverse the situation.

关键词： Hard Work Professionals Health North-Bénin

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Co-morbidities Associated with Prematurity in Two Referral Hospitals in Cameroon

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open Journal of Pediatrics 2024年第4期14卷 738-753页

作者： Diomede Noukeu Njinkui Dominique Enyama Yolande Djike Fokam Cyrelle o. mefotse Saha Beatrice moudze Kaptue Charlotte Eposse Koube Annick A. Tchouamo Sime christophe.Akazong Adjahoung marthe E. Barla Edgar mandeng ma Linwa Seraphin Nguefack Faculty of medicine and Pharmaceutical Sciences of the University of Dschang Dschang Cameroon Faculty of Health Sciences University of Buea Buea Cameroon Faculty of Health Sciences University of Mountains Bangangte Cameroon Douala Laquintinie Hospital Douala Cameroon Faculty of medicine and Pharmaceutical Sciences University of Douala Douala Cameroon Douala General Hospital Douala Cameroon Faculty of medicine and Biomedical Sciences University of Yaound I Yaound Cameroon

Introduction: Prematurity is the leading cause of neonatal death in Africa. more than a million children die each year due to co-morbidities related to prematurity. In addition to being one of the causes of neonatal deaths, the health problems associated with prematurity can also lead to severe lifelong impairment in those who survive. objectives: This paper aims to determine the epidemiology and identify co-morbidities of prematurity in the neonatology units of the Douala General Hospital (DGH) and the Laquintinie Hospital of Douala (LHD). Patients and methodology: We conducted an analytical retrospective cohort study from January 2015 to January 2018 in the neonatology department of the GDH and the LHD, which are considered reference hospitals for the management of preterm babies in Cameroon. We included all newborns aged less than 37 weeks admitted to the neonatology units of the GDH and the LHD. The descriptive component was based on the analysis of quantitative variables using measures of central tendency. The analytical component was evaluated using Spearman correlations and the Chi-square and Fisher tests. Simple and multiple logistic regressions measured factors predictive of mortality. The Kaplan meier survival curve used the Log Rank test and significance at p ≤ 0.05. Results: We recorded 908 preterm newborns in neonatal service and 1,124 preterm deliveries in maternity, representing an incidence of 32.5% in neonatal unit and 10.6% in maternity. 51% of whom were girls, given a sex ratio m/F of 0.9. Hypertension was the main prenatal pathology (9.1%), while premature rupture of membranes: PRom (35.5%) and eclampsia/pre-eclampsia (18.6%) were the most common obstetrical pathologies. 75.9% of deliveries were vaginal with 65.2% being performed in our referral hospitals. Gestational age ranged from 22 to 36 weeks, with a mean of 32.4 weeks. Late preterm birth rate was 53.7%, and birth weight varied between 590 and 3200 g with an average of 1747 ± 479 g. The per

关键词： Epidemiology Co-morbidities Prematurity Douala

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Climate-influenced vector-borne diseases in Africa: a call to empower the next generation of African researchers for sustainable solutions

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贫困所致传染病(英文) 2024年第2期13卷 1-10页

作者： obame-Nkoghe Judica?l Agossou Adjoavi Esse mboowa Gerald Kamgang Basile Caminade Cyril Duke Dawn C. Githeko Andrew Karanja ogega obed m. Elloué Nestor Engone Sarr Fatou Bintou Nkoghe Dieudonné Kengne Pierre Ndam Nicaise T. Paupy christophe.Bockarie moses otomo Patricks Voua molecular and Cellular Biology Laboratory (LabmC) Biology Department University of Science and Technology of Masuku BP Franceville Gabon Ecology and Health Research Unit Interdisciplinary Center for Medical Research of Franceville BP Franceville Gabon Department of Zoology and Entomology Faculty of Natural and Agricultural Sciences University of the Free State Private Bag x13 Phuthaditjhaba Republic of South Africa Laboratory of Pharmacology and Improved Traditional medicines Department of Animal Physiology Faculty of Science and Technology University of Abomey-Calavi BP Cotonou Benin The African Center of Excellence in Bioinformatics and Data-Intensive Sciences Infectious Diseases Institute College of Health Sciences Makerere University P. O Box Kampala Uganda Africa Centers for Disease Control and Prevention African Union Commission Roosevelt Street P.O. Box WKAddis Ababa Ethiopia Centre for Research in Infectious Diseases P.O. Box Yaoundé Cameroon Earth System Physics Department The Abdus Salam International Centre for Theoretical Physics Trieste Italy Africa Research Excellence Fund Charterhouse Street London EC1MHR UK Community Health Support Program P.O. Box Kisumu Kenya The African Academy of Sciences Nairobi Kenya Center for Phylosophical Studies and Research (CERP) Omar Bongo University (UOB) BP Libreville Gabon UmRED Health Training and Research Unit University of Iba Der Thiam of Thiès BP Thiès Senegal National Parasitic Diseases Control Program Ministry of Health Libreville Gabon mIVEGEC Univ. Montpellier CNRS IRD Montpellier France mERIT IRD Paris Cité University Paris France Department of Parasitology Noguchi Memorial Institute for Medical Research University of Ghana LG Accra Ghana School of Community Health Sciences Njala University Bo Sierra Leone

We look at the link between climate change and vector-borne diseases in low- and middle-income countries in Africa. The large endemicity and escalating threat of diseases such as malaria and arboviral diseases, intensified by climate change, disproportionately affects vulnerable communities globally. We highlight the urgency of prioritizing research and development, advocating for robust scientific inquiry to promote adaptation strategies, and the vital role that the next generation of African research leaders will play in addressing these challenges. Despite significant challenges such as funding shortages within countries, various pan-African-oriented funding bodies such as the African Academy of Sciences, the Africa Research Excellence Fund, the Wellcome Trust, the U.S. National Institutes of Health, and the Bill and melinda Gates Foundation as well as initiatives such as the African Research Initiative for Scientific Excellence and the Pan-African mosquito Control Association, have empowered (or are empowering) these researchers by supporting capacity building activities, including continental and global networking, skill development, mentoring, and African-led research. This article underscores the urgency of increased national investment in research, proposing the establishment of research government agencies to drive evidence-based interventions. Collaboration between governments and scientific communities, sustained by pan-African funding bodies, is crucial. Through these efforts, African nations are likely to enhance the resilience and adaptive capacity of their systems and communities by navigating these challenges effectively, fostering scientific excellence and implementing transformative solutions against climate-sensitive vector-borne diseases.

关键词： Climate change Vector-borne diseases Africa Environmental justice Research and development Pan-African funding initiatives

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Targeted therapy for capillary-venous malformations

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Signal Transduction and Targeted Therapy 2024年第7期9卷 3024-3039页

作者： Lola Zerbib Sophia Ladraa Antoine Fraissenon Charles Bayard marina Firpion Quitterie Venot Sanela Protic Clément Hoguin Amandine Thomas Sylvie Fraitag Jean-Paul Duong Sophie Kaltenbach Estelle Balducci Coline Lefevre Patrick Villarese Vahid Asnafi Christine Broissand Nicolas Goudin Ivan Nemazanyy Gwennhael Autret Bertrand Tavitian christophe.Legendre Nadia Arzouk Veronique minard-Colin Caroline Chopinet michael Dussiot Denise mAdams Tristan mirault Laurent Guibaud Paul Isenring Guillaume Canaud UniversitéParis Cité ParisFrance INSERm U1151 Institut Necker-Enfants MaladesParisFrance Service d’Imagerie Pédiatrique Hôpital Femme-Mère-EnfantHCLBronFrance CREATIS UmR 5220 Villeurbanne 69100France Service de Radiologie mère-Enfant Hôpital NordSaint EtienneFrance Service d’Anatomie pathologique Hôpital Necker-Enfants MaladesAP-HPParisFrance Laboratoire d’oncohématologie Hôpital Necker-Enfants MaladesAP-HPParisFrance Pharmacie Hôpital Necker-Enfants MaladesAP-HPParisFrance Necker Bio-Image Analysis INSERM US24/CNRS UMS 3633ParisFrance Platform for metabolic Analyses Structure Fédérative de Recherche NeckerINSERM US24/CNRS UMS 3633ParisFrance Plateforme Imageries du Vivant Universitéde ParisPARCCINSERMParisFrance Service de Néphrologie Transplantation AdultesHôpital Necker-Enfants MaladesAP-HPParisFrance Service de Transplantation Hôpital La PitiéSalpétrièreAP-HPParisFrance Department of Pediatric and Adolescent oncology INSERM 1015Gustave RoussyUniversitéParis-SaclayVillejuifFrance Service de Physiologie&Explorations Fonctionnelles Cardiovasculaires CHU de LilleLille 59000France INSERm U1163 Laboratory of Cellular and Molecular Mechanisms of Hematological Disorders and Therapeutic ImplicationsLaboratoire d’Excellence GR-ExParisFrance Division of oncology Comprehensive Vascular Anomalies ProgramChildren’s Hospital of PhiladelphiaPhiladelphiaPAUSA Service de médecine Vasculaire hôpital Européen Georges-PompidouParisFrance Nephrology Research Group L’Hôtel-Dieu de Québec Research CenterDepartment of MedicineFaculty of MedicineLaval UniversityQuebecQC G1R2J6Canada Unitéde médecine translationnelle et thérapies ciblées Hôpital Necker-Enfants MaladesAP-HPParisFrance CNRS UmR8253 Institut Necker-Enfants MaladesParisFrance

Sporadic venous malformations are genetic conditions primarily caused by somatic gain-of-function mutation of PIK3CA or TEK,an endothelial transmembrane receptor signaling through *** malformations are associated with pain,bleedings,thrombosis,pulmonary embolism,esthetic deformities and,in severe cases,life-threatening *** authorized medical treatment exists for patients with venous ***,we created a genetic mouse model of PIK3CA-related capillary venous malformations that replicates patient *** showed that these malformations only partially signal through AKT *** compared the efficacy of different drugs,including rapamycin,a mToRC1 inhibitor,miransertib,an AKT inhibitor and alpelisib,a PI3Kαinhibitor at improving the lesions seen in the mouse *** demonstrated the effectiveness of alpelisib in preventing vascular malformations’occurrence,improving the already established ones,and prolonging *** these findings,we were authorized to treat 25 patients with alpelisib,including 7 children displaying PIK3CA(n=16)or TEK(n=9)-related capillary venous malformations resistant to usual therapies including sirolimus,debulking surgical procedures or percutaneous *** assessed the volume of vascular malformations using magnetic resonance imaging(mRI)for each *** demonstrated improvement in all 25 *** malformations previously considered intractable were reduced and clinical symptoms were *** showed a decrease of 33.4%and 27.8%in the median volume of PIK3CA and TEK malformations respectively,over 6 months on *** conclusion,this study supports PI3Kαinhibition as a promising therapeutic strategy in patients with PIK3CA or TEK-related capillary venous malformations.

关键词： PIK3CA malformations venous

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Three decades of unveiling the complex chemistry of C-nitroso species with computational chemistry

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organic Chemistry Frontiers 2022年第1期9卷 223-264页

作者： Pauline Bianchi Jean-christophe.m.monbaliu Center for Integrated Technology and organic Synthesis MolSys Research UnitUniversity of LiègeB-4000 Liège(Sart Tilman)Belgium

C-Nitroso species are characterized by a unique nitrogen–oxygen combination located next to a carbon backbone,which confers them a unique ambiphilic and high reactivity towards nucleophilic,electrophilic but also radical *** this ambivalence can be seen as a strong asset for developing versatile synthetic aminohydroxylation and/or hydroxylamination processes mainly through nitroso Diels–Alder,nitroso ene,and nitrosoaldol reactions,it also contributes to complex optimization and rationalization arising from the many competitive pathways,that is,the occurrence of regioisomers and stereoisomers,as well as dimerization and tautomerization *** reactivity profiles are usually seen by synthetic organic chemists as major hurdles to overcome,despite the armada of analytical and purification methods available to them,and hence to achieve selective and exploitable developments of such *** rise of computational chemistry and resources has certainly changed their perspectives,since it provides a very different angle to gather insights on intrinsic properties,reactivity,and *** silico chemistry also provides a robust alternative to time and resource-consuming synthetic work and can therefore contribute to alleviate wasteful preparations by guiding the chemist toward the best combination of reagents to achieve high selectivity and *** synergistic combination of synthetic organic chemistry and computational chemistry,within the specific context of the complex chemistry of C-nitroso species,is discussed in this *** review aims at giving an overview of the molecular and chemical properties obtained through computational chemistry as an enabling support for the rationalization and optimization of reactions relying on ambiphilic C-nitroso species over the 3 last *** provides clear,concise,and illustrated guidelines for the synthetic chemist in search of inspiration through computations.

关键词： chemistry reactivity isomers

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Chaos in DNA evolution

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International Journal of Biomathematics 2016年第5期9卷 199-215页

作者： Jacques m. Bahi christophe.Guyeux Antoine Perasso Institut FEmTo-ST Universitg Bourgogne Franche-Comtd 25000 Besancon France UmR Chrono-Environnement Universite Bourgogne Franche-Comte 25000 Besancon France

In this paper, we explain why the chaotic mutation （Cm） model of J. m. Bahi and C. michel （2008） simulates the genes mutations over time with good accuracy. It is firstly shown that the Cm model is a truly chaotic one, as it is defined by Devaney. Then, it is established that mutations occurring in genes mutations have indeed a same chaotic dynamic, thus making relevant the use of chaotic models for genomes evolution. Transposition and inversion dynamics are finally investigated.

关键词： Genomes evolution models mutations inversions transpositions mathema- tical topology Devaney's chaos.

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Reduced-particle size wheat bran and endoxylanase supplementation in broiler feed affect arabinoxylan hydrolysis and fermentation with broiler age differently

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Animal Nutrition 2023年第1期12卷 308-320页

作者： An Bautil michael R.Bedford Johan Buyse christophe.m.Courtin Laboratory of Food Chemistry and Biochemistry Department of Microbial and Molecular Systems(M2S)KU LeuvenLeuven3001Belgium AB Vista MarlboroughWiltshire SN84ANUnited Kingdom Laboratory of Livestock Physiology Department of BiosystemsKU LeuvenLeuven3001Belgium

Since the caecal microbiota of young broilers are not yet able to ferment the dietary fibre(DF)fraction of the feed to a large extent,increasing the accessibility of DF substrates along the gastrointestinal tract is crucial to benefit from the health stimulating metabolic end-products(*** acid)generated upon microbial DF ***,the present study aimed to evaluate the potential of reduced-particle size wheat bran(RPS-WB)and endoxylanases as feed additives to stimulate arabinoxylan(AX)hydrolysis and fermentation along the hindgut of young *** this end,RPS-WB and endoxylanase supplementation were evaluated in a 2×2 factorial design using a total of 256 male 1-d-old chicks(Ross 308).Broilers were assigned to 4 dietary treatments:a basal wheat-based diet with(1)no feed additives(control,CTRL),(2)an endoxylanase(XYL;Econase XT 25 at 0.10 g/kg diet),(3)1%wheat bran with an average reduced particle size of 297μm(RPS-WB)and(4)an endoxylanase and 1%RPS-WB(RPS-WB+XYL).Each dietary treatment was replicated 8 times and on d 10 and 28,respectively,24 and 16 broilers per treatment group were euthanised to analyse AX degradation,short-chain fatty acid production and digesta viscosity in the ileum and *** receiving XYL in their diet showed increased AX solubilisation and fermentation at both d 10 and 28 compared to the CTRL group(Po the diet stimulated wheat AX utilisation by the primary AX degraders in the caecum at 10 d of age compared to the CTRL group,as observed by the high AX digestibility coefficient for the RPS-WB supplemented group at this young age(Pmentation lowered body-weight gains but increased butyric acid concentrations compared to the XYL and CTRL group(Pough no synergistic effect for RPS-WB+XYL broilers was observed for AX hydrolysis and fermentation,these findings suggest that both additives can raise a dual benefit to the broiler as a butyrogenic effect and im

关键词： Broiler chicken Wheat bran Particle size reduction Xylanase Arabinoxylan fermentation

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Generalized LmmSE Filtering with out-of-Sequence observations in Arbitrary Constant Delay

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Chinese Journal of Electronics 2019年第6期28卷 1217-1226页

作者： LEI ming BAEHR christophe.JING Zhongliang School of Aeronautics and Astronautics Shanghai Jiao Tong University météo-France National Meteorological Research Centre/CNRS

Focusing on the problem of state estimation in the presence of sensor faults and out-of-sequence measurement(ooSm) observations synchronously, we derive a formulation of Linear minimum mean squared error(LmmSE) filter with the arbitrary time delay of ooSm, the generalization of the present work lies in simultaneous treatment of correlated faults together with ooSms that arrive at an arbitrary delay in a linear-optimal manner. The approach is demonstrated in a numerical comparison.

关键词： out-of-sequence measurement(ooSm) Linear minimum mean squared error(LmmSE) Arbitrary time delay Sensor faults Fault-tolerant estimation multisensor fusion

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