ChemMedChem最新文献_第4页

Front Cover: Development of Carborane-Based Halogenated Naphthyridinone-Analogues as Cannabinoid Receptor Type 2 (CB2R) Ligands (ChemMedChem 17/2025) 封面：碳硼烷基卤化萘嘧啶类似物作为大麻素受体2型（CB2R）配体的发展（ChemMedChem 17/2025）

IF 3.4 4区医学

ChemMedChem Pub Date : 2025-09-18 DOI: 10.1002/cmdc.70021

Lea Ueberham, Winnie Deuther-Conrad, Peter Lönnecke, Aleksandr Kazimir, Evamarie Hey-Hawkins

引用次数: 0

Next-Generation Bcl-2 Inhibitors: Design and Evaluation of Indolyl-Triazole Derivatives with Anticancer Potential. 下一代Bcl-2抑制剂：具有抗癌潜力的吲哚-三唑衍生物的设计和评价。

IF 3.4 4区医学

ChemMedChem Pub Date : 2025-09-18 DOI: 10.1002/cmdc.202500265

Ahmed M Almehdi, Samar Damiati, Ihsan A Shehadi, Mohamed El-Sadek, Arwyn T Jones, Abdalla El-Kabalawy, Yasmina Lashine, Yogendra Nayak, Sameh S M Soliman, Andrew D Westwell, Rania Hamdy

{"title":"Next-Generation Bcl-2 Inhibitors: Design and Evaluation of Indolyl-Triazole Derivatives with Anticancer Potential.","authors":"Ahmed M Almehdi, Samar Damiati, Ihsan A Shehadi, Mohamed El-Sadek, Arwyn T Jones, Abdalla El-Kabalawy, Yasmina Lashine, Yogendra Nayak, Sameh S M Soliman, Andrew D Westwell, Rania Hamdy","doi":"10.1002/cmdc.202500265","DOIUrl":"https://doi.org/10.1002/cmdc.202500265","url":null,"abstract":"The Bcl-2 protein family plays a critical role in regulating apoptosis, making it a key target for cancer therapy. In this study, a series of novel Bcl-2 inhibitors have been designed, synthesized, and evaluated. To disrupt the interactions between anti-apoptotic Bcl-2 and pro-apoptotic proteins, compounds were developed based on essential pharmacophoric features. Among the tested compounds, R4, R14, R17, and R23 demonstrated potent anticancer activity with sub-micromolar IC50 concentrations across various Bcl-2 expressing human cancer cell lines (IC50 ranges: 1.46-7.67 µM for cancer cells). ELISA binding assays further validated the efficacy of R4, R14, and R23, showcasing their potency with IC50 values ranging from 0.25 to 0.63 µM, compared to gossypol and ABT-199 (venetoclax), with IC50 values of 0.6 and 0.038 µM, respectively. Furthermore, the R23 revealed a significant induction of late and early apoptosis and cell cycle arrest at G1 phase. Noteworthy, R23 emerged as a promising candidate with unique computational analysis, showing superior displacement of hydration sites and higher ΔG values in WaterMap studies. Moreover, molecular dynamics simulations reveal low root mean square deviation fluctuations, indicating strong and stable interactions with Bcl-2. These findings underscore the therapeutic potential of R23 as a Bcl-2 inhibitor.","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":" ","pages":"e202500265"},"PeriodicalIF":3.4,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145079166","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

Letting Go of Pains and Other Dogmas 放下痛苦和其他教条。

IF 3.4 4区医学

ChemMedChem Pub Date : 2025-09-18 DOI: 10.1002/cmdc.202500199

Christina L. L. Chai

引用次数: 0

Development of a Partial Proteolysis Targeting Chimera Library Based on Achiral Cereblon E3 Ligase Ligands and its Application for Bruton's Tyrosine Kinase Degraders. 基于非手性小脑E3连接酶配体的部分蛋白水解靶向嵌合体文库的建立及其在布鲁顿酪氨酸激酶降解物中的应用

IF 3.4 4区医学

ChemMedChem Pub Date : 2025-09-17 DOI: 10.1002/cmdc.202500209

Chelsi M Almodóvar-Rivera, Ira Tandon, Ramesh Mudududdla, Paulina N Esguerra, Kevin Lucio-Acero, Weiping Tang

{"title":"Development of a Partial Proteolysis Targeting Chimera Library Based on Achiral Cereblon E3 Ligase Ligands and its Application for Bruton's Tyrosine Kinase Degraders.","authors":"Chelsi M Almodóvar-Rivera, Ira Tandon, Ramesh Mudududdla, Paulina N Esguerra, Kevin Lucio-Acero, Weiping Tang","doi":"10.1002/cmdc.202500209","DOIUrl":"10.1002/cmdc.202500209","url":null,"abstract":"Proteolysis targeting chimeras (PROTACs) offer a promising therapeutic approach by leveraging the ubiquitin-proteasome system (UPS) to degrade target proteins. These heterobifunctional molecules consist of a target protein ligand, an E3 ligase ligand, and a linker. Among the limited E3 ligase ligands available, cereblon (CRBN) ligands are the most widely used. However, the stability and racemization of current chiral CRBN ligands pose challenges for developing CRBN-recruiting PROTAC therapeutics. Herein, a partial PROTAC library is reported incorporating an aldehyde motif and various linkers into previously developed achiral phenyl dihydrouracil CRBN ligands, which offer improved stability and eliminate racemization issues. This library enables the rapid generation of fully functional PROTACs targeting Bruton's tyrosine kinase (BTK) by coupling the aldehyde motif with a hydrazide-containing BTK ligand. Initial HiBiT assay (Promega) screening identifies nine hits capable of significant BTK degradation, with compound B1 emerging as the most potent degrader. A stable amide bioisostere, AM-B1, is further developed, which induces significant antiproliferation and BTK degradation. Mechanistic studies confirm BTK degradation via the UPS. This study highlights the development of an achiral CRBN-based partial PROTAC library and demonstrates a two-stage strategy for rapid PROTAC development against BTK.","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":" ","pages":"e202500209"},"PeriodicalIF":3.4,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12471865/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145079185","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

Rational Design and Antimycobacterial Evaluation of Aryl Sulfonamide-Linked Isoniazid Hydrazones Against Mycobacterium Tuberculosis. 芳基磺胺联异烟肼腙抗结核分枝杆菌的合理设计及抑菌效果评价。

IF 3.4 4区医学

ChemMedChem Pub Date : 2025-09-17 DOI: 10.1002/cmdc.202500398

Mukanda Gedeon Kadima, Sahil Mishra, Gobind Kumar, Pule Seboletswe, Afsana Kajee, Ankit, Françoise Roquet-Banères, Maëlle Foubert, Laurent Kremer, Rajshekhar Karpoormath, Parvesh Singh

{"title":"Rational Design and Antimycobacterial Evaluation of Aryl Sulfonamide-Linked Isoniazid Hydrazones Against Mycobacterium Tuberculosis.","authors":"Mukanda Gedeon Kadima, Sahil Mishra, Gobind Kumar, Pule Seboletswe, Afsana Kajee, Ankit, Françoise Roquet-Banères, Maëlle Foubert, Laurent Kremer, Rajshekhar Karpoormath, Parvesh Singh","doi":"10.1002/cmdc.202500398","DOIUrl":"https://doi.org/10.1002/cmdc.202500398","url":null,"abstract":"Despite significant advancements in antituberculosis (TB) drug discovery, considerable scope remains for novel therapeutic development. Molecular hybridization represents a promising strategy for generating new anti-TB agents. In this study, in silico molecular docking is employed to design novel isoniazid-sulfonamide hybrids connected via a hydrazone bridge, designated as series 7j-r and 8a-i. Docking analysis reveals that these compounds interact significantly with the active site of InhA, particularly engaging the catalytic triad residues Y158, F149, and K165, as well as the cofactor NAD. Subsequently, both series are synthesized and evaluated against Mycobacterium tuberculosis. Generally, compounds from both series (7 and 8) exhibit enhanced activity compared to their precursors. Notably, compound 8a demonstrated approximately twofold greater potency ( minimum inhibitory concentration (MIC) = 0.156 µg mL-1) with respect to compound 7j (MIC = 0.313 µg mL-1). However, these compounds lose efficacy against INH-resistant M. tuberculosis strains harboring katG mutations and remain ineffective against multidrug-resistant and extensively drug-resistant strains of M. tuberculosis. Encouragingly, the tested compounds exhibit little cytotoxicity against the THP-1 human monocytic cell line at a concentration of 20 µg mL-1. Additionally, the structural stability studies using 1H NMR confirm the structural integrity of these compounds. Overall, these molecular hybrids are promising for further development as anti-TB agents after relevant structural optimizations.","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":" ","pages":"e202500398"},"PeriodicalIF":3.4,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145079183","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 of p53 Activators and Protoflavones to Target Multiple Myeloma. p53激活剂和原黄酮的杂化分子靶向多发性骨髓瘤。

IF 3.4 4区医学

ChemMedChem Pub Date : 2025-09-14 DOI: 10.1002/cmdc.202500600

Francisca Lopes, Gábor Girst, Rafael Rincón, Ricardo J F Ferreira, Lídia M Gonçalves, Lucília Saraiva, Hui-Chun Wang, Muriel Cuendet, Attila Hunyadi, Maria M M Santos

{"title":"Hybrid Molecules of p53 Activators and Protoflavones to Target Multiple Myeloma.","authors":"Francisca Lopes, Gábor Girst, Rafael Rincón, Ricardo J F Ferreira, Lídia M Gonçalves, Lucília Saraiva, Hui-Chun Wang, Muriel Cuendet, Attila Hunyadi, Maria M M Santos","doi":"10.1002/cmdc.202500600","DOIUrl":"https://doi.org/10.1002/cmdc.202500600","url":null,"abstract":"Multiple myeloma is a rare blood cancer that develops from abnormal plasma cells in the bone marrow. Treatment of multiple myeloma remains an enormous challenge. In this work, hybrid compounds are developed and studied for their potential use against multiple myeloma. The compounds are designed to act by a dual mechanism of action, activation of the p53 pathway, and inhibition of the ataxia telangiectasia and Rad3-related protein (ATR). To evaluate the selectivity for the p53 pathway, the compounds are first evaluated in an isogenic pair of HCT116 colon cancer cell lines, with and without p53, and in two breast cancer cell lines expressing different forms of p53. Then, the growth inhibitory effect of the hybrid compounds is tested against the multiple myeloma cell lines RPMI 8226 (mutant p53) and MM.1S (wild-type p53). At the same time, compound 15 is confirmed to inhibit doxorubicin- but not UV-induced DNA damage response via the ATR/Chk1 signaling pathway. The hybrids show lower IC50 values compared to the fragments alone, highlighting the potential for using hybrid molecules containing two pharmacophores with complementary activities. These results suggest that novel hybrid molecules may serve as new leads against multiple myeloma.","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":" ","pages":"e202500600"},"PeriodicalIF":3.4,"publicationDate":"2025-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145058129","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

Targeting Plasmodium falciparum Single-Stranded DNA-Binding Protein: Discovery of New Scaffold Compounds Effective against Drug-Sensitive and Artemisinin-Resistant Strains 靶向恶性疟原虫单链dna结合蛋白：发现对药物敏感和耐青蒿素菌株有效的新支架化合物。

IF 3.4 4区医学

ChemMedChem Pub Date : 2025-09-14 DOI: 10.1002/cmdc.202500282

Biswajit Naik, Preshita Bhalerao, Shashank Shekhar, Stephy A. Varghese, Sweta Makwana, Chandi C. Mandal, Tarun Kumar Bhatt, Suman Kumar Dhar, Dhaneswar Prusty

{"title":"Targeting Plasmodium falciparum Single-Stranded DNA-Binding Protein: Discovery of New Scaffold Compounds Effective against Drug-Sensitive and Artemisinin-Resistant Strains","authors":"Biswajit Naik, Preshita Bhalerao, Shashank Shekhar, Stephy A. Varghese, Sweta Makwana, Chandi C. Mandal, Tarun Kumar Bhatt, Suman Kumar Dhar, Dhaneswar Prusty","doi":"10.1002/cmdc.202500282","DOIUrl":"10.1002/cmdc.202500282","url":null,"abstract":"Resistance to frontline antimalarials by malaria parasites is a major concern, prompting the search for novel antimalarial compounds targeting new drug targets. One promising target is the single-stranded DNA-binding protein (PfSSB) of Plasmodium falciparum, crucial for DNA replication process in apicoplast, an essential organelle. Using an integrative approach, PPG and 9-HPF are identified, which inhibit the DNA binding property of PfSSB and exhibit antimalarial activity. Computational analyses reveal that both compounds possess strong binding affinity and favorable drug-like properties. Biolayer interferometry assay and the gel retardation assays demonstrate that they have a stronger binding affinity and disrupt PfSSB's ssDNA binding ability. PPG and 9-HPF show antimalarial activity against drug-sensitive P. falciparum (3D7) with IC50 values of 54.95 and 9.13 μM, respectively, and they can also effectively inhibit artemisinin-resistant P. falciparum (C580Y) with a resistance index of 0.79 and 1.26, respectively. MTT cytotoxicity assays confirm that both compounds are nontoxic, and structural similarity analysis indicates that they are distinct from existing antimalarials, reducing cross-resistance risk. Additionally, virtual screening of 59,807 compounds with similar structures to PPG and 9-HPF identifies candidates with higher affinities for PfSSB. This study identifies PPG and 9-HPF as structurally distinct antimalarials with the potential to combat drug-resistant P. falciparum.","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":"20 19","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145058146","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

Impact of C18 Epimerization of Indole- and Pyrazole-Fused 18β-Glycyrrhetinic Acid Derivatives on PTP1B and TCPTP Inhibitory Activity: Synthesis, In Vitro, and In Silico Studies. 吲哚和吡唑融合18β-甘草次酸衍生物的C18外聚化对PTP1B和TCPTP抑制活性的影响：合成、体外和硅研究

IF 3.4 4区医学

ChemMedChem Pub Date : 2025-09-14 DOI: 10.1002/cmdc.202500350

Ledy De-la-Cruz-Martínez, Rosendo Martínez-Arellano, Mitzi López-Sánchez, José G Alvarado-Rodríguez, Jesús Martin Torres-Valencia, David Equihua-González, Julio-César Almanza-Pérez, Jaime Pérez-Villanueva, Martín González-Andrade, José C Páez-Franco, Francisco Cortés-Benítez

{"title":"Impact of C18 Epimerization of Indole- and Pyrazole-Fused 18β-Glycyrrhetinic Acid Derivatives on PTP1B and TCPTP Inhibitory Activity: Synthesis, In Vitro, and In Silico Studies.","authors":"Ledy De-la-Cruz-Martínez, Rosendo Martínez-Arellano, Mitzi López-Sánchez, José G Alvarado-Rodríguez, Jesús Martin Torres-Valencia, David Equihua-González, Julio-César Almanza-Pérez, Jaime Pérez-Villanueva, Martín González-Andrade, José C Páez-Franco, Francisco Cortés-Benítez","doi":"10.1002/cmdc.202500350","DOIUrl":"https://doi.org/10.1002/cmdc.202500350","url":null,"abstract":"Protein tyrosine phosphatase 1B (PTP1B) is crucial for negatively regulating the canonical insulin and leptin signaling pathways. This enzyme is a validated target for treating various disorders, including diabetes and obesity. However, to date, no PTP1B inhibitors have been approved for use. In earlier studies, we developed two modified versions of 18β-glycyrrhetinic acid (18β-GA) called FC-114 and FC-122, which showed better inhibitory PTP1B activity than ursolic acid, a well-known inhibitor. To develop even stronger inhibitors, we looked at another compound, 18α-glycyrrhetinic acid (18α-GA), which is more potent than 18β-GA. Thus, in this study, we aimed to synthesize the analogs 18epi-FC114 (3c) and 18epi-FC-122 (5c). These compounds were prepared with and without the carbonyl group at C11. The results showed that converting 18β-H to 18α-H, as well as the absence of the 11-carbonyl group, negatively impacted the PTP1B inhibitory activity. However, the synthesized compounds exhibited an uncompetitive type of inhibition toward PTP1B and did not inhibit the TCPTP enzyme. Molecular docking and dynamics simulations suggest that the inversion of 18β-H pushes the 30-COOH group away, disrupting interactions at the C-terminal site of PTP1B1-400. Additionally, the absence of the 11-carbonyl group positions the compounds unfavorably, limiting critical interactions in the same region.","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":" ","pages":"e202500350"},"PeriodicalIF":3.4,"publicationDate":"2025-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145058169","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

Curcumin Analogs Containing Pyrazole-Pyridine Hybrids as Novel Anticancer Agents: Synthesis, Cytotoxicity, Apoptosis Induction, and Molecular Modeling. 含有吡唑-吡啶复合物的姜黄素类似物作为新型抗癌剂：合成、细胞毒性、细胞凋亡诱导和分子模型。

IF 3.4 4区医学

ChemMedChem Pub Date : 2025-09-14 DOI: 10.1002/cmdc.202500577

Nam Q H Doan, Huyen T T Nguyen, Hoang-Thuc Huynh, Tuyen Ngoc Truong

{"title":"Curcumin Analogs Containing Pyrazole-Pyridine Hybrids as Novel Anticancer Agents: Synthesis, Cytotoxicity, Apoptosis Induction, and Molecular Modeling.","authors":"Nam Q H Doan, Huyen T T Nguyen, Hoang-Thuc Huynh, Tuyen Ngoc Truong","doi":"10.1002/cmdc.202500577","DOIUrl":"https://doi.org/10.1002/cmdc.202500577","url":null,"abstract":"In recent years, curcumin analogs have not only demonstrated potent anticancer activities but have also addressed several limitations of curcumin itself, thereby remaining a promising focus of research within the scientific community. Building upon the findings of our previous studies, structural modifications of potent curcumin analogs fused with 1H-pyrazole are performed by applying the bioisosteric replacement strategy of a benzene ring with a pyridine ring, to develop a series of novel curcumin analogs containing pyrazole-pyridine hybrids (3a-4h) as promising anticancer agents. Among them, curcumin analog 4c emerges as the most potent compound, exhibiting the strongest cytotoxicity against various human cancer cell lines, including HepG2 (liver), MDA-MB-231 (breast), and A549 (lung), as well as significant apoptosis-inducing effects in HepG2 cells. Furthermore, compound 4c is predicted to possess a favorable physicochemical-pharmacokinetic-toxicological profile, as well as an effective binding mode at the colchicine-binding site of the α,β-tubulin heterodimer. Importantly, the bioisosteric replacement in compound 4c is found to exert beneficial effects on its anticancer activities, physicochemical-pharmacokinetic-toxicological properties, and binding affinity, in comparison with its parent compounds.","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":" ","pages":"e202500577"},"PeriodicalIF":3.4,"publicationDate":"2025-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145058174","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

Pantinin-Derived Peptides against Veterinary Herpesviruses: Activity and Structural Characterization 抗兽医疱疹病毒的潘汀衍生肽：活性和结构表征。

IF 3.4 4区医学

ChemMedChem Pub Date : 2025-09-14 DOI: 10.1002/cmdc.202500333

Rosa Giugliano, Carla Zannella, Annalisa Chianese, Clementina Acconcia, Alessandra Monti, Roberta Della Marca, Ugo Pagnini, Serena Montagnaro, Nunzianna Doti, Carla Isernia, Massimiliano Galdiero, Filomena Fiorito, Luigi Russo, Valentina Iovane, Anna De Filippis

{"title":"Pantinin-Derived Peptides against Veterinary Herpesviruses: Activity and Structural Characterization","authors":"Rosa Giugliano, Carla Zannella, Annalisa Chianese, Clementina Acconcia, Alessandra Monti, Roberta Della Marca, Ugo Pagnini, Serena Montagnaro, Nunzianna Doti, Carla Isernia, Massimiliano Galdiero, Filomena Fiorito, Luigi Russo, Valentina Iovane, Anna De Filippis","doi":"10.1002/cmdc.202500333","DOIUrl":"10.1002/cmdc.202500333","url":null,"abstract":"Animal viral infections represent a growing public health concern, as animals serve as reservoirs for pathogens, threatening food safety, biodiversity, and human health. In response, novel antiviral strategies are urgently needed. This study investigates the antiviral activity and structural properties of two antimicrobial peptides, pantinin-1 and pantinin-2, both derived from the venom of the scorpion Pandinus imperator, against caprine herpesvirus 1 (CpHV-1) and bovine herpesvirus 1 (BoHV-1). The results obtained from the plaque reduction assay and the quantitative real-time polymerase chain reaction (PCR) indicate that synthetic pantinin-mimetic peptides exhibited potent antiviral effects at concentrations ranging from 6–25 µM, impairing viral infectivity through direct virucidal action and inhibition of the viral entry and fusion with host cell. To characterize their structural behavior, nuclear magnetic resonance spectroscopy is performed in aqueous and membrane-mimetic environments (trifluoroethanol (TFE)/H2O). In aqueous solution, both peptides predominantly adopted random coil conformations, with pantinin-2 showing greater secondary structure propensity. In TFE/H2O, both peptides transitioned to α-helical structures, which are often associated with membrane interaction and antiviral activity. These findings demonstrate that pantinin-1 and pantinin-2 possess promising antiviral properties, supporting their potential development as therapeutic agents against herpesviruses and other animal viral infections.","PeriodicalId":147,"journal":{"name":"ChemMedChem","volume":"20 19","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cmdc.202500333","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145058159","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