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Novel Indole and Pyrrolopyridine Derivatives as GPR17 Modulators for Treating Multiple Sclerosis 新型吲哚和吡咯吡啶衍生物作为GPR17调节剂治疗多发性硬化
IF 3.5 3区 医学
ACS Medicinal Chemistry Letters Pub Date : 2025-04-09 DOI: 10.1021/acsmedchemlett.5c0017610.1021/acsmedchemlett.5c00176
Ram W. Sabnis*, 
{"title":"Novel Indole and Pyrrolopyridine Derivatives as GPR17 Modulators for Treating Multiple Sclerosis","authors":"Ram W. Sabnis*,&nbsp;","doi":"10.1021/acsmedchemlett.5c0017610.1021/acsmedchemlett.5c00176","DOIUrl":"https://doi.org/10.1021/acsmedchemlett.5c00176https://doi.org/10.1021/acsmedchemlett.5c00176","url":null,"abstract":"<p >Provided herein are novel indole and pyrrolopyridine derivatives as GPR17 modulators, pharmaceutical compositions, use of such compounds in treating multiple sclerosis, and processes for preparing such compounds.</p>","PeriodicalId":20,"journal":{"name":"ACS Medicinal Chemistry Letters","volume":"16 5","pages":"736–737 736–737"},"PeriodicalIF":3.5,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Targeted Degradation of BCL6 Using Novel Bifunctional Degraders: A New Therapeutic Strategy for BCL6-Positive Cancers. 利用新型双功能降解剂靶向降解BCL6: BCL6阳性癌症的新治疗策略
IF 3.5 3区 医学
ACS Medicinal Chemistry Letters Pub Date : 2025-04-09 eCollection Date: 2025-05-08 DOI: 10.1021/acsmedchemlett.5c00181
Robert B Kargbo
{"title":"Targeted Degradation of BCL6 Using Novel Bifunctional Degraders: A New Therapeutic Strategy for BCL6-Positive Cancers.","authors":"Robert B Kargbo","doi":"10.1021/acsmedchemlett.5c00181","DOIUrl":"10.1021/acsmedchemlett.5c00181","url":null,"abstract":"<p><p>BCL6 overexpression drives lymphomagenesis and immune evasion in B-cell malignancies. This Patent Highlight presents novel bifunctional degraders targeting BCL6, demonstrating high potency and selectivity. These degraders induce BCL6 degradation via a PROTAC-based mechanism, resulting in apoptosis and tumor regression in BCL6-positive cancers. This targeted approach offers enhanced efficacy and therapeutic potential.</p>","PeriodicalId":20,"journal":{"name":"ACS Medicinal Chemistry Letters","volume":"16 5","pages":"740-742"},"PeriodicalIF":3.5,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067130/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143951167","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Advancing TET Inhibitor Development: From Structural Insights to Biological Evaluation 推进TET抑制剂的发展：从结构洞察到生物学评价
IF 3.5 3区 医学
ACS Medicinal Chemistry Letters Pub Date : 2025-04-08 DOI: 10.1021/acsmedchemlett.5c0004210.1021/acsmedchemlett.5c00042
Suzanne Willems, Lejla Maksumic, Janina Niggenaber, Tzu-Chen Lin, Tom Schulz, Jörn Weisner, Sonja Sievers, Matthias P. Müller, Daniel Summerer* and Daniel Rauh*, 
{"title":"Advancing TET Inhibitor Development: From Structural Insights to Biological Evaluation","authors":"Suzanne Willems,&nbsp;Lejla Maksumic,&nbsp;Janina Niggenaber,&nbsp;Tzu-Chen Lin,&nbsp;Tom Schulz,&nbsp;Jörn Weisner,&nbsp;Sonja Sievers,&nbsp;Matthias P. Müller,&nbsp;Daniel Summerer* and Daniel Rauh*,&nbsp;","doi":"10.1021/acsmedchemlett.5c0004210.1021/acsmedchemlett.5c00042","DOIUrl":"https://doi.org/10.1021/acsmedchemlett.5c00042https://doi.org/10.1021/acsmedchemlett.5c00042","url":null,"abstract":"<p >Ten-eleven translocation (TET) methylcytosine dioxygenases are part of the epigenetic regulatory machinery that erases DNA methylation. Aberrant TET activities are frequently found in hematopoietic malignancies, where loss of TET2 function leads to DNA hypermethylation. A comprehensive understanding of the biological role of TETs is essential to elucidate disease pathogenesis and identify novel therapeutic strategies. We present a robust pipeline integrating protein X-ray crystallography, molecular modeling, and pharmacophore analysis to advance the current TET inhibitor development. In addition, we have synthesized and evaluated a series of 8-hydroxyquinoline (8-HQ) derivatives, demonstrating their potential as chemical tools to explore TET function further. These findings lay the groundwork for a TET-centered therapeutic approach.</p>","PeriodicalId":20,"journal":{"name":"ACS Medicinal Chemistry Letters","volume":"16 5","pages":"804–810 804–810"},"PeriodicalIF":3.5,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917265","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Advancing TET Inhibitor Development: From Structural Insights to Biological Evaluation. 推进TET抑制剂的发展：从结构洞察到生物学评价。
IF 3.5 3区 医学
ACS Medicinal Chemistry Letters Pub Date : 2025-04-08 eCollection Date: 2025-05-08 DOI: 10.1021/acsmedchemlett.5c00042
Suzanne Willems, Lejla Maksumic, Janina Niggenaber, Tzu-Chen Lin, Tom Schulz, Jörn Weisner, Sonja Sievers, Matthias P Müller, Daniel Summerer, Daniel Rauh
{"title":"Advancing TET Inhibitor Development: From Structural Insights to Biological Evaluation.","authors":"Suzanne Willems, Lejla Maksumic, Janina Niggenaber, Tzu-Chen Lin, Tom Schulz, Jörn Weisner, Sonja Sievers, Matthias P Müller, Daniel Summerer, Daniel Rauh","doi":"10.1021/acsmedchemlett.5c00042","DOIUrl":"10.1021/acsmedchemlett.5c00042","url":null,"abstract":"<p><p>Ten-eleven translocation (TET) methylcytosine dioxygenases are part of the epigenetic regulatory machinery that erases DNA methylation. Aberrant TET activities are frequently found in hematopoietic malignancies, where loss of TET2 function leads to DNA hypermethylation. A comprehensive understanding of the biological role of TETs is essential to elucidate disease pathogenesis and identify novel therapeutic strategies. We present a robust pipeline integrating protein X-ray crystallography, molecular modeling, and pharmacophore analysis to advance the current TET inhibitor development. In addition, we have synthesized and evaluated a series of 8-hydroxyquinoline (8-HQ) derivatives, demonstrating their potential as chemical tools to explore TET function further. These findings lay the groundwork for a TET-centered therapeutic approach.</p>","PeriodicalId":20,"journal":{"name":"ACS Medicinal Chemistry Letters","volume":"16 5","pages":"804-810"},"PeriodicalIF":3.5,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067125/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143950665","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Novel Heterocyclic Pyrimidine Derivatives as GSK3α Inhibitors. 新型杂环嘧啶衍生物作为GSK3α抑制剂
IF 3.5 3区 医学
ACS Medicinal Chemistry Letters Pub Date : 2025-04-07 eCollection Date: 2025-05-08 DOI: 10.1021/acsmedchemlett.5c00159
Yinlong Li, Steven H Liang
{"title":"Novel Heterocyclic Pyrimidine Derivatives as GSK3α Inhibitors.","authors":"Yinlong Li, Steven H Liang","doi":"10.1021/acsmedchemlett.5c00159","DOIUrl":"10.1021/acsmedchemlett.5c00159","url":null,"abstract":"<p><p>This patent highlight describes a series of novel heterocyclic pyrimidine derivatives as glycogen synthase kinase 3 alpha (GSK3α) inhibitors. The disclosed compounds demonstrated excellent subtype selectivity over GSK3β and showed promising efficacy in treating an MC38 mouse model of colorectal cancer.</p>","PeriodicalId":20,"journal":{"name":"ACS Medicinal Chemistry Letters","volume":"16 5","pages":"721-723"},"PeriodicalIF":3.5,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067111/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143953827","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Discovery of p-Trifluoromethylbenzohydrazide Derivatives as Potent Antiviral Agents against Monkeypox Virus. 对三氟甲基苯并肼衍生物作为猴痘病毒有效抗病毒药物的发现。
IF 3.5 3区 医学
ACS Medicinal Chemistry Letters Pub Date : 2025-04-07 eCollection Date: 2025-05-08 DOI: 10.1021/acsmedchemlett.5c00075
Sara Rossi, Luca Pozzetti, Gabriele Carullo, Maria Dichiara, Stefania Butini, Marco Radi, Anna Ramunno, Chiara Terrosi, Giovanni Barra, Rita Berisio, Sandra Gemma, Maria Grazia Cusi, Giuseppe Campiani
{"title":"Discovery of <i>p</i>-Trifluoromethylbenzohydrazide Derivatives as Potent Antiviral Agents against Monkeypox Virus.","authors":"Sara Rossi, Luca Pozzetti, Gabriele Carullo, Maria Dichiara, Stefania Butini, Marco Radi, Anna Ramunno, Chiara Terrosi, Giovanni Barra, Rita Berisio, Sandra Gemma, Maria Grazia Cusi, Giuseppe Campiani","doi":"10.1021/acsmedchemlett.5c00075","DOIUrl":"10.1021/acsmedchemlett.5c00075","url":null,"abstract":"<p><p>After the global eradication of smallpox has occurred, Monkeypox virus (MPXV) is nowadays the most significant pathogen affecting humans among orthopoxviruses. The recent growing number of cases worldwide is drawing researchers' attention, prompting for the discovery of new antivirals with optimized synthetic protocols and enhanced efficacy. To date tecovirimat, targeting the membrane-anchored phospholipase p37, is the only drug specifically approved for the treatment of MPXV. In an effort to develop inhibitors with more accessible synthetic protocols and broaden the poorly explored structure-activity relationship (SAR) studies, a new library of tecovirimat analogues has been designed and synthesized. The resulting compounds have been tested in phenotypic assays to evaluate their antiviral inhibitory properties. Spirovirimat (<b>7</b>) was identified as a potent lead compound within this series. Further experiments highlighted that <b>7</b> completely abolished extracellular virus production, and <i>in silico</i> studies suggested that <b>7</b> and tecovirimat target the same protein.</p>","PeriodicalId":20,"journal":{"name":"ACS Medicinal Chemistry Letters","volume":"16 5","pages":"837-843"},"PeriodicalIF":3.5,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067134/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143952915","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Novel Azaindole Compounds as Phosphodiesterase 4B Inhibitors for Treating Immune-Inflammatory Diseases or Disorders 新型叠氮都乐化合物作为磷酸二酯酶4B抑制剂治疗免疫炎性疾病或紊乱
IF 3.5 3区 医学
ACS Medicinal Chemistry Letters Pub Date : 2025-04-07 DOI: 10.1021/acsmedchemlett.5c0015810.1021/acsmedchemlett.5c00158
Zhendong Song,  and , Steven H. Liang*, 
{"title":"Novel Azaindole Compounds as Phosphodiesterase 4B Inhibitors for Treating Immune-Inflammatory Diseases or Disorders","authors":"Zhendong Song,&nbsp; and ,&nbsp;Steven H. Liang*,&nbsp;","doi":"10.1021/acsmedchemlett.5c0015810.1021/acsmedchemlett.5c00158","DOIUrl":"https://doi.org/10.1021/acsmedchemlett.5c00158https://doi.org/10.1021/acsmedchemlett.5c00158","url":null,"abstract":"<p >This application reveals a novel series of azaindole compounds identified as phosphodiesterase 4B (PDE4B) inhibitors. The chemical synthesis, enzymatic inhibitory activity against PDE4B, selectivity over PDE4D, and pharmaceutical compositions are disclosed.</p>","PeriodicalId":20,"journal":{"name":"ACS Medicinal Chemistry Letters","volume":"16 5","pages":"717–718 717–718"},"PeriodicalIF":3.5,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917260","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Novel Azaindole Compounds as Phosphodiesterase 4B Inhibitors for Treating Immune-Inflammatory Diseases or Disorders. 新型叠氮都乐化合物作为磷酸二酯酶4B抑制剂治疗免疫炎性疾病或紊乱。
IF 3.5 3区 医学
ACS Medicinal Chemistry Letters Pub Date : 2025-04-07 eCollection Date: 2025-05-08 DOI: 10.1021/acsmedchemlett.5c00158
Zhendong Song, Steven H Liang
{"title":"Novel Azaindole Compounds as Phosphodiesterase 4B Inhibitors for Treating Immune-Inflammatory Diseases or Disorders.","authors":"Zhendong Song, Steven H Liang","doi":"10.1021/acsmedchemlett.5c00158","DOIUrl":"10.1021/acsmedchemlett.5c00158","url":null,"abstract":"<p><p>This application reveals a novel series of azaindole compounds identified as phosphodiesterase 4B (PDE4B) inhibitors. The chemical synthesis, enzymatic inhibitory activity against PDE4B, selectivity over PDE4D, and pharmaceutical compositions are disclosed.</p>","PeriodicalId":20,"journal":{"name":"ACS Medicinal Chemistry Letters","volume":"16 5","pages":"717-718"},"PeriodicalIF":3.5,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12067115/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143951224","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Discovery of p-Trifluoromethylbenzohydrazide Derivatives as Potent Antiviral Agents against Monkeypox Virus 对三氟甲基苯并肼衍生物作为猴痘病毒有效抗病毒药物的发现
IF 3.5 3区 医学
ACS Medicinal Chemistry Letters Pub Date : 2025-04-07 DOI: 10.1021/acsmedchemlett.5c0007510.1021/acsmedchemlett.5c00075
Sara Rossi, Luca Pozzetti, Gabriele Carullo, Maria Dichiara, Stefania Butini, Marco Radi, Anna Ramunno, Chiara Terrosi, Giovanni Barra, Rita Berisio, Sandra Gemma*, Maria Grazia Cusi and Giuseppe Campiani, 
{"title":"Discovery of p-Trifluoromethylbenzohydrazide Derivatives as Potent Antiviral Agents against Monkeypox Virus","authors":"Sara Rossi,&nbsp;Luca Pozzetti,&nbsp;Gabriele Carullo,&nbsp;Maria Dichiara,&nbsp;Stefania Butini,&nbsp;Marco Radi,&nbsp;Anna Ramunno,&nbsp;Chiara Terrosi,&nbsp;Giovanni Barra,&nbsp;Rita Berisio,&nbsp;Sandra Gemma*,&nbsp;Maria Grazia Cusi and Giuseppe Campiani,&nbsp;","doi":"10.1021/acsmedchemlett.5c0007510.1021/acsmedchemlett.5c00075","DOIUrl":"https://doi.org/10.1021/acsmedchemlett.5c00075https://doi.org/10.1021/acsmedchemlett.5c00075","url":null,"abstract":"<p >After the global eradication of smallpox has occurred, Monkeypox virus (MPXV) is nowadays the most significant pathogen affecting humans among orthopoxviruses. The recent growing number of cases worldwide is drawing researchers’ attention, prompting for the discovery of new antivirals with optimized synthetic protocols and enhanced efficacy. To date tecovirimat, targeting the membrane-anchored phospholipase p37, is the only drug specifically approved for the treatment of MPXV. In an effort to develop inhibitors with more accessible synthetic protocols and broaden the poorly explored structure–activity relationship (SAR) studies, a new library of tecovirimat analogues has been designed and synthesized. The resulting compounds have been tested in phenotypic assays to evaluate their antiviral inhibitory properties. Spirovirimat (<b>7</b>) was identified as a potent lead compound within this series. Further experiments highlighted that <b>7</b> completely abolished extracellular virus production, and <i>in silico</i> studies suggested that <b>7</b> and tecovirimat target the same protein.</p>","PeriodicalId":20,"journal":{"name":"ACS Medicinal Chemistry Letters","volume":"16 5","pages":"837–843 837–843"},"PeriodicalIF":3.5,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917258","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Macrocyclization: Enhancing Drug-like Properties of Discoidin Domain Receptor Kinase Inhibitors 大环化：增强盘状圆盘蛋白结构域受体激酶抑制剂的药物样特性
IF 3.5 3区 医学
ACS Medicinal Chemistry Letters Pub Date : 2025-04-07 DOI: 10.1021/acsmedchemlett.4c0061110.1021/acsmedchemlett.4c00611
Laura Carzaniga*, Roberta Mazzucato, Valentina Mileo, Andrea Rizzi, Maura Vallaro, Giuseppe Ermondi, Silvia Cattani, Andrea Secchi and Giulia Caron*, 
{"title":"Macrocyclization: Enhancing Drug-like Properties of Discoidin Domain Receptor Kinase Inhibitors","authors":"Laura Carzaniga*,&nbsp;Roberta Mazzucato,&nbsp;Valentina Mileo,&nbsp;Andrea Rizzi,&nbsp;Maura Vallaro,&nbsp;Giuseppe Ermondi,&nbsp;Silvia Cattani,&nbsp;Andrea Secchi and Giulia Caron*,&nbsp;","doi":"10.1021/acsmedchemlett.4c0061110.1021/acsmedchemlett.4c00611","DOIUrl":"https://doi.org/10.1021/acsmedchemlett.4c00611https://doi.org/10.1021/acsmedchemlett.4c00611","url":null,"abstract":"<p >Macrocyclization, a well-established strategy for developing ligands against challenging drug targets, was employed to design macrocyclic alternatives to a linear discoidin domain receptor (DDR) inhibitor (<b>1</b>) with potential applications in treating fibrotic diseases. This study aimed to enhance the drug-like profile of <b>1</b> through innovative design strategies encompassing molecular docking and chameleonicity considerations. These efforts resulted in the synthesis of matched pairs of macrocycles differing in flexibility and linker features. Compound <b>5a</b> emerged as a promising lead, exhibiting nanomolar-range activity, significantly improved solubility, and excellent permeability. Comprehensive experimental physicochemical characterization further highlighted the modest impact of ionization, the major role played by lipophilicity (but not polarity) in driving permeability of the investigated matched pairs, and the limitations of traditional 2D computational descriptors in predicting macrocycle ADME-related properties.</p>","PeriodicalId":20,"journal":{"name":"ACS Medicinal Chemistry Letters","volume":"16 5","pages":"784–789 784–789"},"PeriodicalIF":3.5,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsmedchemlett.4c00611","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917259","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
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