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Future medicinal chemistry最新文献

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Dual-target EZH2 inhibitor: latest advances in medicinal chemistry. 双靶点 EZH2 抑制剂：药物化学的最新进展。
IF 3.2 4区 医学
Future medicinal chemistry Pub Date : 2024-08-02 Epub Date: 2024-07-31 DOI: 10.1080/17568919.2024.2380243
Lai Wei, Dan Mei, Sijia Hu, Shufang Du
{"title":"Dual-target EZH2 inhibitor: latest advances in medicinal chemistry.","authors":"Lai Wei, Dan Mei, Sijia Hu, Shufang Du","doi":"10.1080/17568919.2024.2380243","DOIUrl":"10.1080/17568919.2024.2380243","url":null,"abstract":"<p><p>Enhancer of zeste homolog 2 (EZH2), a histone methyltransferase, plays a crucial role in tumor progression by regulating gene expression. EZH2 inhibitors have emerged as promising anti-tumor agents due to their potential in cancer treatment strategies. However, single-target inhibitors often face limitations such as drug resistance and side effects. Dual-target inhibitors, exemplified by EZH1/2 inhibitor HH-2853(<b>28</b>), offer enhanced efficacy and reduced adverse effects. This review highlights recent advancements in dual inhibitors targeting EZH2 and other proteins like BRD4, PARP1, and EHMT2, emphasizing rational design, structure-activity relationships, and safety profiles, suggesting their potential in clinical applications.</p>","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"1561-1582"},"PeriodicalIF":3.2,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11370917/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141855326","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
Design, synthesis and biological evaluation of novel pyrazole-based compounds as potential chemotherapeutic agents. 作为潜在化疗药物的新型吡唑类化合物的设计、合成和生物学评价。
IF 3.2 4区 医学
Future medicinal chemistry Pub Date : 2024-07-02 Epub Date: 2024-05-20 DOI: 10.1080/17568919.2024.2347090
Maiy Y Jaballah, Nooran S Elleboudy, Marwa Sharaky, Khaled A M Abouzid, Mai I Shahin
{"title":"Design, synthesis and biological evaluation of novel pyrazole-based compounds as potential chemotherapeutic agents.","authors":"Maiy Y Jaballah, Nooran S Elleboudy, Marwa Sharaky, Khaled A M Abouzid, Mai I Shahin","doi":"10.1080/17568919.2024.2347090","DOIUrl":"10.1080/17568919.2024.2347090","url":null,"abstract":"<p><p><b>Aim:</b> Design and synthesis of pyrazole-based chemotherapeutic agents. <b>Materials & methods:</b> A series of novel diphenyl pyrazole-chalcone derivatives were synthesized and assessed for their cytotoxic activities against 14 cancer cell lines and their antimicrobial activities against MRSA and <i>Escherichia coli</i> along with their safety using HSF normal cell line. <b>Results & conclusion:</b> Majority of the compounds showed moderate-to-significant anticancer activity with selective high percentage inhibition (>80%) against HNO-97 while being nontoxic toward normal cells. Compounds <b>6b</b> and <b>6d</b> were the most potent congeners with IC<sub>50</sub> of 10 and 10.56 μM respectively. The synthesized compounds exhibited moderate to potent antimicrobial activities. Interestingly, compound <b>6d</b> exhibited a minimum inhibitory concentration of 15.7 μg/ml against MRSA; and a minimum inhibitory concentration of 7.8 μg/ml versus <i>E. coli</i>.</p>","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":"16 13","pages":"1299-1311"},"PeriodicalIF":3.2,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11318682/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141897240","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
Expanding potential of quinoline hydrazide/hydrazone derivatives as anticancer agents. 拓展喹啉肼/腙衍生物作为抗癌剂的潜力。
IF 3.2 4区 医学
Future medicinal chemistry Pub Date : 2024-07-02 Epub Date: 2024-06-27 DOI: 10.1080/17568919.2024.2366150
Sangeeta Verma, Sukhbir Lal, Rakesh Narang
{"title":"Expanding potential of quinoline hydrazide/hydrazone derivatives as anticancer agents.","authors":"Sangeeta Verma, Sukhbir Lal, Rakesh Narang","doi":"10.1080/17568919.2024.2366150","DOIUrl":"10.1080/17568919.2024.2366150","url":null,"abstract":"","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"1283-1286"},"PeriodicalIF":3.2,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11318745/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141456227","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
Palbociclib-derived multifunctional molecules for lysosomal targeting and diagnostic-therapeutic integration. 用于溶酶体靶向和诊断治疗整合的 Palbociclib 衍生多功能分子。
IF 3.2 4区 医学
Future medicinal chemistry Pub Date : 2024-07-02 Epub Date: 2024-05-22 DOI: 10.1080/17568919.2024.2347072
Haili Yang, Xiaoyang Zhang, Letian Xu, Yuting Zhou, Rui Ma, Hao Chen, Siqin Zhao, Munkhtsetseg Baatar, Lvyi Chen, Xukun Deng, Hongwei Gu, Xiaoming Wang
{"title":"Palbociclib-derived multifunctional molecules for lysosomal targeting and diagnostic-therapeutic integration.","authors":"Haili Yang, Xiaoyang Zhang, Letian Xu, Yuting Zhou, Rui Ma, Hao Chen, Siqin Zhao, Munkhtsetseg Baatar, Lvyi Chen, Xukun Deng, Hongwei Gu, Xiaoming Wang","doi":"10.1080/17568919.2024.2347072","DOIUrl":"10.1080/17568919.2024.2347072","url":null,"abstract":"<p><p><b>Aim:</b> Lysosomal pH changes are associated with drug resistance, cell growth and invasion of tumors, but effective and specific real-time monitoring of lysosomal pH compounds for cancer therapy is lacking. <b>Materials & methods:</b> Here, based on the covalent linkage of the anticancer drug palbociclib and fluorescent dye fluorescein isothiocyanate (FITC), we designed and developed a novel palbociclib-derived multifunctional molecule (Pal-FITC) for lysosomal targeting and diagnostic therapeutic integration. <b>Results & discussion:</b> Pal-FITC fluoresces is 20-fold stronger than that of FITC and shows a linear response in the pH range of 4.0-8.2 (R<sup>2</sup> = 0.9901). Pal-FITC blocks cells in G1 phase via <i>Cyclin D-CDK4/6-Rb</i>. <b>Conclusion:</b> Our study provides new strategies for tumor-targeted imaging and personalized therapy.</p>","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":"16 13","pages":"1287-1298"},"PeriodicalIF":3.2,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11318731/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141897243","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
Design, synthesis and inhibition evaluation of novel chalcone amide α-glucosidase inhibitors. 新型查尔酮酰胺α-葡萄糖苷酶抑制剂的设计、合成和抑制评估。
IF 3.2 4区 医学
Future medicinal chemistry Pub Date : 2024-07-02 Epub Date: 2024-05-22 DOI: 10.1080/17568919.2024.2347092
Song Yao Lv, Li Ping Cheng
{"title":"Design, synthesis and inhibition evaluation of novel chalcone amide α-glucosidase inhibitors.","authors":"Song Yao Lv, Li Ping Cheng","doi":"10.1080/17568919.2024.2347092","DOIUrl":"10.1080/17568919.2024.2347092","url":null,"abstract":"<p><p><b>Aim:</b> The purpose of this study is to design and synthesize a series of novel chalcone amide α-glucosidase (AG) inhibitors (<b>L1-L10</b>) based on virtual screening and molecular dynamics (MD) simulation. <b>Materials & methods:</b> Target compounds (<b>L1-L10</b>) were synthesized from 2-hydroxyacetophenone and methyl 4-formylbenzoate. <b>Results:</b> <i>In vitro</i> activity test shows that most compounds have good AG inhibition. Specially, compound <b>L4</b> (IC<sub>50</sub> = 8.28 ± 0.04 μM) had the best inhibitory activity, superior to positive control acarbose (IC<sub>50</sub> = 8.36 ± 0.02 μM). Molecular docking results show that the good potency of <b>L4</b> maybe attributed to strong interactions between chalcone skeleton and active site, and the torsion of carbon nitrogen bond in amide group. <b>Conclusion:</b> Compound <b>L4</b> maybe regard as a good anti-Type II diabetes candidate to preform further study.</p>","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":"16 13","pages":"1333-1345"},"PeriodicalIF":3.2,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11318676/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141897241","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
Isocoumarins incorporating chalcone moieties act as isoform selective tumor-associated carbonic anhydrase inhibitors. 含有查尔酮分子的异香豆素是具有同工酶选择性的肿瘤相关碳酸酐酶抑制剂。
IF 3.2 4区 医学
Future medicinal chemistry Pub Date : 2024-07-02 Epub Date: 2024-05-28 DOI: 10.1080/17568919.2024.2350875
Mehmet Onyilmaz, Murat Koca, Andrea Ammara, Mustafa Degirmenci, Claudiu T Supuran
{"title":"Isocoumarins incorporating chalcone moieties act as isoform selective tumor-associated carbonic anhydrase inhibitors.","authors":"Mehmet Onyilmaz, Murat Koca, Andrea Ammara, Mustafa Degirmenci, Claudiu T Supuran","doi":"10.1080/17568919.2024.2350875","DOIUrl":"10.1080/17568919.2024.2350875","url":null,"abstract":"<p><p><b>Aim:</b> A series of isocoumarin-chalcone hybrids were prepared and assays for the inhibition of four isoforms of human carbonic anhydrase (hCA; EC 4.2.1.1), hCA I, II, IX and XII. <b>Materials & methods:</b> Isocoumarin-chalcone hybrids were synthesized by condensing acetyl-isocoumarin with aromatic aldehydes. They did not significantly inhibit off-target cytosolic isoforms hCA I and II (K<sub>I</sub> >100 μM) but acted as low micromolar or submicromolar inhibitors for the tumor-associated isoforms hCA IX and XII. <b>Results & conclusion:</b> Our work provides insights into a new and scarcely investigated chemotype which provides interesting tumor-associated CA inhibitors, considering that some such derivatives like sulfonamide SLC-0111 are in advanced clinical trials for the management of metastatic advanced solid tumors.</p>","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":"16 13","pages":"1347-1355"},"PeriodicalIF":3.2,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11318696/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141897242","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
Anti-proliferation evaluation of new derivatives of indole-6-carboxylate ester as receptor tyrosine kinase inhibitors. 作为受体酪氨酸激酶抑制剂的吲哚-6-羧酸酯新衍生物的抗增殖评估。
IF 3.2 4区 医学
Future medicinal chemistry Pub Date : 2024-07-02 Epub Date: 2024-05-10 DOI: 10.1080/17568919.2024.2347084
Mustafa M Allawi, Ammar A Razzak Mahmood, Lubna H Tahtamouni, Abdulrahman M Saleh, Sana I Kanaan, Khaled M Saleh, Mai F AlSakhen, Nisreen Himsawi, Salem R Yasin
{"title":"Anti-proliferation evaluation of new derivatives of indole-6-carboxylate ester as receptor tyrosine kinase inhibitors.","authors":"Mustafa M Allawi, Ammar A Razzak Mahmood, Lubna H Tahtamouni, Abdulrahman M Saleh, Sana I Kanaan, Khaled M Saleh, Mai F AlSakhen, Nisreen Himsawi, Salem R Yasin","doi":"10.1080/17568919.2024.2347084","DOIUrl":"10.1080/17568919.2024.2347084","url":null,"abstract":"<p><p><b>Aim:</b> The main goal was to create two new groups of indole derivatives, hydrazine-1-carbothioamide (<b>4a</b> and <b>4b</b>) and oxadiazole (<b>5</b>, and <b>6a-e</b>) that target EGFR (<b>4a</b>, <b>4b</b>, <b>5</b>) or VEGFR-2 (<b>6a-e</b>). <b>Materials & methods:</b> The new derivatives were characterized using various spectroscopic techniques. Docking studies were used to investigate the binding patterns to EGFR/VEGFR-2, and the anti-proliferative properties were tested <i>in vitro</i>. <b>Results:</b> Compounds <b>4a</b> (targeting EGFR) and <b>6c</b> (targeting VEGFR-2) were the most effective cytotoxic agents, arresting cancer cells in the G2/M phase and inducing the extrinsic apoptosis pathway. <b>Conclusion:</b> The results of this study show that compounds <b>4a</b> and <b>6c</b> are promising cytotoxic compounds that inhibit the tyrosine kinase activity of EGFR and VEGFR-2, respectively.</p>","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":"16 13","pages":"1313-1331"},"PeriodicalIF":3.2,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11318749/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141897239","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
Drug discovery and development: the role of artificial intelligence in drug repurposing. 药物发现与开发：人工智能在药物再利用中的作用。
IF 4.2 4区 医学
Future medicinal chemistry Pub Date : 2024-04-01 Epub Date: 2024-03-01 DOI: 10.4155/fmc-2024-0048
Mohamad Aljofan, Abduzhappar Gaipov
{"title":"Drug discovery and development: the role of artificial intelligence in drug repurposing.","authors":"Mohamad Aljofan, Abduzhappar Gaipov","doi":"10.4155/fmc-2024-0048","DOIUrl":"10.4155/fmc-2024-0048","url":null,"abstract":"","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"583-585"},"PeriodicalIF":4.2,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139996097","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
Antimicrobial activity of carvacrol and its derivatives on Mycobacterium spp.: systematic review of preclinical studies. 香芹酚及其衍生物对分枝杆菌属的抗菌活性：临床前研究的系统回顾。
IF 3.2 4区 医学
Future medicinal chemistry Pub Date : 2024-04-01 Epub Date: 2024-02-23 DOI: 10.4155/fmc-2023-0249
Thiago H Fermiano, João V Perez de Souza, Letícia S Murase, João P Salvaterra Pasquini, Regiane B de Lima Scodro, Paula A Zanetti Campanerut-Sá, Katiany Rizzieri Caleffi-Ferracioli, Vera L Dias Siqueira, Jean E Meneguello, Jorge J Vieira Teixeira, Rosilene Fressatti Cardoso
{"title":"Antimicrobial activity of carvacrol and its derivatives on <i>Mycobacterium</i> spp.: systematic review of preclinical studies.","authors":"Thiago H Fermiano, João V Perez de Souza, Letícia S Murase, João P Salvaterra Pasquini, Regiane B de Lima Scodro, Paula A Zanetti Campanerut-Sá, Katiany Rizzieri Caleffi-Ferracioli, Vera L Dias Siqueira, Jean E Meneguello, Jorge J Vieira Teixeira, Rosilene Fressatti Cardoso","doi":"10.4155/fmc-2023-0249","DOIUrl":"10.4155/fmc-2023-0249","url":null,"abstract":"<p><p><b>Background:</b> The scope of the study was to analyze original preclinical studies on the antimicrobial effects of carvacrol and derivatives on the <i>Mycobacterium</i> genus. <b>Materials & methods:</b> According to the Preferred Reporting Items for Systematic Reviews and Meta-Analyses statement, four databases (PubMed, Web of Science, SCOPUS and EMBASE) were searched. <b>Results:</b> The search retrieved 392 records, of which 11 papers were selected. Heterogeneity in the techniques and mycobacterial targets was observed. Carvacrol demonstrated synergistic antimycobacterial activity with rifampicin against multidrug-resistant <i>Mycobacterium tuberculosis</i> on membranes and biofilms. <i>In silico</i> approaches showed specific targets in mycobacteria, by inhibition and molecular docking assays, on the enzyme chorismate mutase and the heat shock protein 16.3. <b>Conclusion:</b> Carvacrol has been shown to be a scaffold candidate for future molecules with activity against mycobacteria.</p>","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"679-688"},"PeriodicalIF":3.2,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139930684","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
BioPrint meets the AI age: development of artificial intelligence-based ADMET models for the drug-discovery platform SAFIRE. 生物打印迎接人工智能时代：为药物发现平台 SAFIRE 开发基于人工智能的 ADMET 模型。
IF 4.2 4区 医学
Future medicinal chemistry Pub Date : 2024-04-01 Epub Date: 2024-02-19 DOI: 10.4155/fmc-2024-0007
Sarah E Biehn, Luis Miguel Goncalves, Juerg Lehmann, Jessica D Marty, Christoph Mueller, Samuel A Ramirez, Fabien Tillier, Carleton R Sage
{"title":"BioPrint meets the AI age: development of artificial intelligence-based ADMET models for the drug-discovery platform SAFIRE.","authors":"Sarah E Biehn, Luis Miguel Goncalves, Juerg Lehmann, Jessica D Marty, Christoph Mueller, Samuel A Ramirez, Fabien Tillier, Carleton R Sage","doi":"10.4155/fmc-2024-0007","DOIUrl":"10.4155/fmc-2024-0007","url":null,"abstract":"<p><p><b>Background:</b> To prioritize compounds with a higher likelihood of success, artificial intelligence models can be used to predict absorption, distribution, metabolism, excretion and toxicity (ADMET) properties of molecules quickly and efficiently. <b>Methods:</b> Models were trained with BioPrint database proprietary data along with public datasets to predict various ADMET end points for the SAFIRE platform. <b>Results:</b> SAFIRE models performed at or above 75% accuracy and 0.4 Matthew's correlation coefficient with validation sets. Training with both proprietary and public data improved model performance and expanded the chemical space on which the models were trained. The platform features scoring functionality to guide user decision-making. <b>Conclusion:</b> High-quality datasets along with chemical space considerations yielded ADMET models performing favorably with utility in the drug discovery process.</p>","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"587-599"},"PeriodicalIF":4.2,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139899643","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
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