ChemMedChem最新文献_第5页

Fluorescence-Based Detection of Methionine for Noninvasive Cancer Diagnosis Using Cu-Sn Bimetallic Nanoclusters. 基于Cu-Sn双金属纳米团簇荧光检测蛋氨酸的非侵袭性癌症诊断。

IF 3.6 4区医学

ChemMedChem Pub Date : 2025-04-24 DOI: 10.1002/cmdc.202500064

Geneva Indongo, Susan Varghese, Merin K Abraham, Greeshma Rajeevan, Arathy B Kala, Dheyaa Mohammed Dhahir, Sony George

{"title":"Fluorescence-Based Detection of Methionine for Noninvasive Cancer Diagnosis Using Cu-Sn Bimetallic Nanoclusters.","authors":"Geneva Indongo, Susan Varghese, Merin K Abraham, Greeshma Rajeevan, Arathy B Kala, Dheyaa Mohammed Dhahir, Sony George","doi":"10.1002/cmdc.202500064","DOIUrl":"10.1002/cmdc.202500064","url":null,"abstract":"Methionine is an essential sulfur-containing amino acid that plays a pivotal role in cancer biology due to its abnormal metabolism in malignant cells. Elevated methionine levels serve as potential biomarkers for various cancers, highlighting their diagnostic significance. This study presents a bimetallic sensing platform using L-cysteine-capped copper-tin nanoclusters (Cu-SnNCs) for the selective and sensitive detection of methionine. The Cu-SnNCs are synthesized via a one-pot hydrothermal process, exhibiting strong blue fluorescence, high stability, and significant optical properties. Fe3+ is employed as a quencher, leveraging its paramagnetic nature to suppress fluorescence, which is subsequently restored upon the addition of methionine. The sensing mechanism demonstrates a linear response over a methionine concentration range of 0.18-1.62 mm, with a detection limit of 1.69 μm. The probe's potential is further validated with a preliminary paper strip test for detecting methionine in biological samples. These findings underscore the utility of Cu-SnNCs as a noninvasive, economical diagnostic tool for cancer detection and screening.","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":" ","pages":"e2500064"},"PeriodicalIF":3.6,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143954120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploration of 3-Substituted Benzofuran-Tethered Sulfamoyl Triazoles as Carbonic Anhydrase Inhibitors: Design, Synthesis, and Biological Evaluation. 3-取代苯并呋喃系链磺胺酰三唑作为碳酸酐酶抑制剂的探索：设计、合成和生物学评价。

IF 3.6 4区医学

ChemMedChem Pub Date : 2025-04-19 DOI: 10.1002/cmdc.202500080

Anuradha Singampalli, Rani Bandela, Bulti Bakchi, Simone Giovannuzzi, Karol Biernacki, Puja Kumari Agnivesh, Srinivas Nanduri, Nitin Pal Kalia, Claudiu T Supuran, Venkata Madhavi Yaddanapudi

{"title":"Exploration of 3-Substituted Benzofuran-Tethered Sulfamoyl Triazoles as Carbonic Anhydrase Inhibitors: Design, Synthesis, and Biological Evaluation.","authors":"Anuradha Singampalli, Rani Bandela, Bulti Bakchi, Simone Giovannuzzi, Karol Biernacki, Puja Kumari Agnivesh, Srinivas Nanduri, Nitin Pal Kalia, Claudiu T Supuran, Venkata Madhavi Yaddanapudi","doi":"10.1002/cmdc.202500080","DOIUrl":"10.1002/cmdc.202500080","url":null,"abstract":"This study reports the design and synthesis of benzofuran-tethered sulfamoyl triazoles. These compounds are evaluated against two human carbonic anhydrases (hCA I and II) and three CAs from the bacterial pathogen mycobacterium TB (mtCA1-3). The findings indicate that molecules featuring triazolyl benzene-3-sulfonamide are significantly more selective for mtCA 1-3 than hCA I and II. In contrast, across the generated molecules, benzofuran with triazolyl benzene-4-sulfonamide demonstrates greater selectivity for hCA II than mtCAs. Among these compounds, 3F4 shows the greatest suppression of mtCA2, with a Ki value of 0.0052 μM. 4F1 demonstrates essential and focused inhibition of hCA II, with a Ki value of 0.0094 μM. Compound 3F4 is 439 times more selective to mtCA2 than hCA I and 47 times more selective than hCAII. Additionally, when examined for antitubercular activity, these compounds show minimum inhibitory concentration values for Mtb H37Rv strain inhibition in the range of moderate to good with 4-128 μg mL-1.","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":" ","pages":"e2500080"},"PeriodicalIF":3.6,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143954200","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Cover Feature: The European Federation for Medicinal Chemistry and Chemical Biology (EFMC) Best Practice Initiative: Hit to Lead (ChemMedChem 8/2025) 封面特写：欧洲药物化学和化学生物学联合会（EFMC）最佳实践倡议：Hit to Lead （ChemMedChem 8/2025）

IF 3.6 4区医学

ChemMedChem Pub Date : 2025-04-17 DOI: 10.1002/cmdc.202580804

Jean Quancard, Anders Bach, Chiara Borsari, Russell Craft, Christian Gnamm, Stéphanie M. Guéret, Ingo V. Hartung, Hannes F. Koolman, Stefan Laufer, Susan Lepri, Josef Messinger, Kurt Ritter, Gianluca Sbardella, Andrea Unzue Lopez, Marina K. Willwacher, Brian Cox, Robert J. Young

{"title":"Cover Feature: The European Federation for Medicinal Chemistry and Chemical Biology (EFMC) Best Practice Initiative: Hit to Lead (ChemMedChem 8/2025)","authors":"Jean Quancard, Anders Bach, Chiara Borsari, Russell Craft, Christian Gnamm, Stéphanie M. Guéret, Ingo V. Hartung, Hannes F. Koolman, Stefan Laufer, Susan Lepri, Josef Messinger, Kurt Ritter, Gianluca Sbardella, Andrea Unzue Lopez, Marina K. Willwacher, Brian Cox, Robert J. Young","doi":"10.1002/cmdc.202580804","DOIUrl":"https://doi.org/10.1002/cmdc.202580804","url":null,"abstract":"“Searching for diamonds in the rough” summarises consensus best practices in how to expedite the processes and enable decision making in the Hits-to-Leads phase of drug discovery. The EFMC Best Practices Group, led by Jean Quancard, draws on expertise from seasoned drug hunters (industrial and academic) from all over Europe, producing open-source educational materials. This paper complements webinars on the topic, part of an expanding series with associated online content (videos of presentations, slides, publications) produced to be open-source educational materials. More details can be found in article 10.1002/cmdc.202400931 by Jean Quancard, Robert J. Young, and co-workers.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture>\u0000 </div>\u0000 </figure>\u0000 ","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":"20 8","pages":""},"PeriodicalIF":3.6,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmdc.202580804","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143846006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Progress in the Research and Development of Biphenyl Small Molecules Targeting PD-1/PD-L1 as Potential Antitumor Drug Candidates. 靶向PD-1/PD-L1的联苯小分子抗肿瘤药物研究进展

IF 3.6 4区医学

ChemMedChem Pub Date : 2025-04-17 DOI: 10.1002/cmdc.202500179

Wei He, Haoran Xu, Annoor Awadasseid, Yanhua Song, Jianwei Wang, Wen Zhang

引用次数: 0

Front Cover: Expanding the Variety of Pyridinium-Based Bis-QACs with Antimicrobial Properties: Investigation into Linker Structure-Activity Correlation (ChemMedChem 8/2025) 封面：扩展具有抗菌性能的吡啶基双qacs的种类：连接子结构-活性相关性的研究（ChemMedChem 8/2025）

IF 3.6 4区医学

ChemMedChem Pub Date : 2025-04-17 DOI: 10.1002/cmdc.202580801

Nikita A. Frolov, Alexander A. Tyutin, Alexandra N. Tyurina, Mary A. Seferyan, Elena V. Detusheva, Elizabeth Son, Evgeniya A. Saverina, Anatoly N. Vereshchagin

引用次数: 0

N-Substituted Bridged Azaozonides as Promising Antimalarial Agents. n取代桥接偶氮杂脲作为抗疟药的前景。

IF 3.6 4区医学

ChemMedChem Pub Date : 2025-04-17 DOI: 10.1002/cmdc.202500181

Paolo Coghi, Ivan A Yaremenko, Parichat Prommana, Ali Adnan Nasim, Yulia Yu Belyakova, Ruihong Chen, Peter S Radulov, Chairat Uthaipibull, Alexander O Terent'ev, Vincent Kam Wai Wong

{"title":"N-Substituted Bridged Azaozonides as Promising Antimalarial Agents.","authors":"Paolo Coghi, Ivan A Yaremenko, Parichat Prommana, Ali Adnan Nasim, Yulia Yu Belyakova, Ruihong Chen, Peter S Radulov, Chairat Uthaipibull, Alexander O Terent'ev, Vincent Kam Wai Wong","doi":"10.1002/cmdc.202500181","DOIUrl":"https://doi.org/10.1002/cmdc.202500181","url":null,"abstract":"Forty-five aminoperoxides belonging to bridged azaozonides, bridged N-substituted azaozonides, and tricyclic aminoperoxides were evaluated for in vitro antimalarial activity against Plasmodium falciparum (3D7) and for cytotoxicity against immortalized human normal liver (LO2) and lung (BEAS-2B) cell lines, as well as human liver (HepG2) and lung (A549) cancer cell lines. Seven N-substituted azaozonides exhibited high antimalarial activity against the chloroquine-sensitive 3D7 strain of P. falciparum, with IC50 < 1 μM. The lead compound 22 showed IC50 = 0.07 μM and selectivity index of 1428. Most aminoperoxides were generally non-cytotoxic to both normal and cancer liver and lung cells. Only two azaozonides exhibited moderate cytotoxicity on HepG2 cell line (2: IC50 = 4.12 μM, 40: 9.95 μM), while one azaozonide 2 had an IC50 = 5.56 μM against A549 cell line. From this small library of 45 aminoperoxides, compound 22 was found to have antimalarial activity comparable to artemisinin and chloroquine used in medical practice. These findings provide a new source for developing antimalarial agents through structural modification of aminoperoxide compounds.","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":" ","pages":"e2500181"},"PeriodicalIF":3.6,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143956232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Further Structure-Activity Relationship of G Protein-Gated Inwardly Rectifying Potassium Channels 1/2 Activators: Synthesis and Biological Characterization of In Vitro Tool Compounds. G蛋白门控内校正钾通道1/2激活剂的进一步构效关系：体外工具化合物的合成和生物学特性

IF 3.6 4区医学

ChemMedChem Pub Date : 2025-04-16 DOI: 10.1002/cmdc.202500037

Sumaiya Nahid, Fahad Imtiaz Rahman, Yu Du, Brittany D Spitznagel, Sandeep K Singh, Yashpal S Chhonker, Daryl J Murry, C David Weaver, Corey R Hopkins

引用次数: 0

Novel Quinazolinones Active against Multidrug-Resistant Mycobacterium Tuberculosis: Synthesis, Antimicrobial Evaluation, and in Silico Exploration of Penicillin-Binding Protein 1A as a Potential Target. 抗多药耐药结核分枝杆菌的新型喹唑啉酮：合成、抗菌评价和潜在靶点PonA1的硅基探索

IF 3.6 4区医学

ChemMedChem Pub Date : 2025-04-16 DOI: 10.1002/cmdc.202500147

Marek Kerda, Daria Nawrot, Petr Šlechta, Miroslav Domanský, Asal Askari, Hanieh Kamangar, Ondřej Janďourek, Klára Konečná, Pavla Paterová, Ingrid Hlbočanová, Miloslav Macháček, Matteo Mori, Fiorella Meneghetti, Martin Doležal, Jan Zitko, Ghada Bouz

{"title":"Novel Quinazolinones Active against Multidrug-Resistant Mycobacterium Tuberculosis: Synthesis, Antimicrobial Evaluation, and in Silico Exploration of Penicillin-Binding Protein 1A as a Potential Target.","authors":"Marek Kerda, Daria Nawrot, Petr Šlechta, Miroslav Domanský, Asal Askari, Hanieh Kamangar, Ondřej Janďourek, Klára Konečná, Pavla Paterová, Ingrid Hlbočanová, Miloslav Macháček, Matteo Mori, Fiorella Meneghetti, Martin Doležal, Jan Zitko, Ghada Bouz","doi":"10.1002/cmdc.202500147","DOIUrl":"10.1002/cmdc.202500147","url":null,"abstract":"Quinazolinone derivatives have emerged as promising scaffolds in antimicrobial drug discovery. This work focuses on the design, synthesis, and evaluation of novel quinazolinone-based compounds and predicts their potential to interact with mycobacterial penicillin-binding proteins (PBPs). Relying on established structure-activity relationships of antibacterial quinazolinones, a total of 53 compounds belonging to three different structural types are synthesized and biologically evaluated for antimycobacterial, antibacterial, and antifungal activities. Biological evaluations reveal selective efficacy against Mycobacterium tuberculosis with minimum inhibitory concentrations (MICs) as low as 6.25 μg mL-1 for some derivatives, and this activity is preserved against drug-resistant strains. Molecular docking studies suggest a potential allosteric binding site in mycobacterial PBP 1A (PonA1, UniProt ID: P71707), and subsequential molecular dynamics confirm stable binding with key stabilizing interaction between the carbonyl oxygen of the quinazolinone and either ARG399 or ASP474. These findings suggest quinazolinone derivatives as viable candidates for further development as non-β-lactam PBP inhibitors, addressing the urgent need for new antitubercular therapies.","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":" ","pages":"e2500147"},"PeriodicalIF":3.6,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143954075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Hybrid Molecules as Efficient Drugs against Multidrug-Resistant Malaria Parasites 杂交分子作为抗多药耐药疟原虫的有效药物。

IF 3.6 4区医学

ChemMedChem Pub Date : 2025-04-14 DOI: 10.1002/cmdc.202500086

Anne Robert, Lucie Paloque, Jean-Michel Augereau, Flore Nardella, Michel Nguyen, Bernard Meunier, Françoise Benoit-Vical

{"title":"Hybrid Molecules as Efficient Drugs against Multidrug-Resistant Malaria Parasites","authors":"Anne Robert, Lucie Paloque, Jean-Michel Augereau, Flore Nardella, Michel Nguyen, Bernard Meunier, Françoise Benoit-Vical","doi":"10.1002/cmdc.202500086","DOIUrl":"10.1002/cmdc.202500086","url":null,"abstract":"This review is focused on hybrid molecules defined as chemical entities with two or more structural domains, as antimalarial drug-candidates, over the past 25 years. Due to their different pharmacophores, such hybrids can interact with a single biological target by different and complementary mechanisms; they can also act simultaneously on several targets having complementary biological functions (dual mode of action), and can theoretically reduce the selection of parasite drug-resistance. This review is not an exhaustive report of all hybrid drugs tested on malaria parasites but a selection of hybrids with pharmacologically relevant antiplasmodial properties and original chemical structures. The choice of pharmacophore synthons and junction arms is obviously decisive. Among the large varieties of hybrid drugs published, emoquine-1 appears at the moment as a promising antimalarial drug candidate, considering 1) its high activities on several multidrug-resistant Plasmodium lab strains and field isolates, 2) its capacity to eliminate the quiescent forms of the artemisinin-resistant parasites, and 3) its curative properties in a malaria mouse model. Such molecules confirm the synergistic effect of hybrid compounds compared to the combination of the pharmacophores leading to novel chemical structures that meet the critical parameters for new antimalarial drugs.","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":"20 11","pages":""},"PeriodicalIF":3.6,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmdc.202500086","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143958377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nondegradative Synthetic Molecular Glues Enter the Clinic 非降解合成分子胶进入临床。

IF 3.6 4区医学

ChemMedChem Pub Date : 2025-04-14 DOI: 10.1002/cmdc.202500048

Maximilian L. Repity, Robin C. E. Deutscher, Felix Hausch

引用次数: 0