Future medicinal chemistry最新文献_第2页

A short overview of dual targeting HDAC inhibitors.

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2024-12-08 DOI: 10.1080/17568919.2024.2437975

Wen-Bo Liu, Jian Song, Sai-Yang Zhang

引用次数: 0

Synthesis, DFT, ADMET and molecular docking studies of thiazole derived thiazolidinone-based chalcone derivatives: alzheimer's disease current therapies.

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2024-12-04 DOI: 10.1080/17568919.2024.2421158

Muhammad Shahid Nadeem, Jalaluddin Azam Khan, Imran Kazmi, Ehssan Moglad, Muhammad Afzal, Sami I Alzarea, Fazal Rahim, Shoaib Khan, Khushi Muhammad, Gaurav Gupta

{"title":"Synthesis, DFT, ADMET and molecular docking studies of thiazole derived thiazolidinone-based chalcone derivatives: alzheimer's disease current therapies.","authors":"Muhammad Shahid Nadeem, Jalaluddin Azam Khan, Imran Kazmi, Ehssan Moglad, Muhammad Afzal, Sami I Alzarea, Fazal Rahim, Shoaib Khan, Khushi Muhammad, Gaurav Gupta","doi":"10.1080/17568919.2024.2421158","DOIUrl":"https://doi.org/10.1080/17568919.2024.2421158","url":null,"abstract":"Aim: Nitrogen and sulfur-containing compounds are the core components utilized for synthesis of different heterocyclic moieties.Methods & results: In this research, a series of new analogues containing thiazolidinone have been synthesized (1-20) in order to evaluate their activity against acetylcholinesterase and butyrylcholinesterase. Potent analogues were further subjected for molecular docking in order to study their protein-ligand interactions. The highly active analogues were also subjected for DFT, which confirmed the binding properties, electrical properties, and nature with the targeted enzyme. ADMET analysis also confirms the druglikeness properties of the synthesized series.Conclusion: Analog 5 (IC50 = 1.2 ± 0.1 µM and 1.8 ± 0.2 µM) exhibit excellent inhibition in comparison with the standard drug donepezil in view of inhibiting Alzheimer's disease.","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"1-9"},"PeriodicalIF":3.2,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142767829","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

Unlocking the potential of the thioamide group in drug design and development.

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2024-12-02 DOI: 10.1080/17568919.2024.2435245

Guang Huang, Tomasz Cierpicki, Jolanta Grembecka

引用次数: 0

Environment benign synthesis of 5-acyl-4-hydroxypyridin-2(1H)-one derivatives as antioxidant and α-amylase inhibitors. 作为抗氧化剂和 α 淀粉酶抑制剂的 5-酰基-4-羟基吡啶-2(1H)-酮衍生物的无害环境合成。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2024-11-28 DOI: 10.1080/17568919.2024.2432289

Neelam Yadav, Ravi Kumar, Sarita Sangwan, Vidhi Dhanda, Anil Duhan, Jayant Sindhu

{"title":"Environment benign synthesis of 5-acyl-4-hydroxypyridin-2(1H)-one derivatives as antioxidant and α-amylase inhibitors.","authors":"Neelam Yadav, Ravi Kumar, Sarita Sangwan, Vidhi Dhanda, Anil Duhan, Jayant Sindhu","doi":"10.1080/17568919.2024.2432289","DOIUrl":"https://doi.org/10.1080/17568919.2024.2432289","url":null,"abstract":"Aim: Oxidative stress, caused by postprandial activities, is a major global health issue causing chronic diseases like diabetes mellitus, cancer, and asthma. Therefore, it was envisaged to design and synthesize a series of substituted 4-hydroxypyridine-2(1 h)-ones in order to develop new molecules that can reduce oxidative stress and modulate α-amylase activity also.Materials & methods: An environmentally benign, solvent and catalyst free, natural product inspired synthesis of 4-hydroxypyridin-2(1 h)-one derivatives has been developed. The synthetic analogues were evaluated in vitro α-amylase activity and antioxidant potential.Results: Among all the synthesized compounds, 4a, 4c, and 4d displayed many folds higher antioxidants activity than the standard, BHT. The in vitro α-amylase inhibition was found to be moderate with IC50 values ranging from 5.48 to 9.31 mm as compared to the standard acarbose (IC50 = 0.65 mm). The most active compound against α-amylase 4c was further investigated for its binding affinity within the active site of the enzyme and the kinetics studies revealed probable uncompetitive mode of inhibition.Conclusion: Compound 4a was found to be promising antioxidant and 4c as a good α-amylase inhibitor. These compounds could pave the way for development of new α-amylase inhibitors with antioxidant capabilities thereby effectively mitigating diabetes mellitus.","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"1-10"},"PeriodicalIF":3.2,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142739045","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

Insights on exploring the therapeutic potential and structural modification of Tetrandrine. 探索四氢化萘的治疗潜力和结构改造的见解。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2024-11-28 DOI: 10.1080/17568919.2024.2432297

Liang Gong, He Liu, Bo Xu, Tao Yu, Yi Wang, Sheng-Li Niu, Rong Zeng, Qin Ouyang

{"title":"Insights on exploring the therapeutic potential and structural modification of Tetrandrine.","authors":"Liang Gong, He Liu, Bo Xu, Tao Yu, Yi Wang, Sheng-Li Niu, Rong Zeng, Qin Ouyang","doi":"10.1080/17568919.2024.2432297","DOIUrl":"https://doi.org/10.1080/17568919.2024.2432297","url":null,"abstract":"Tetrandrine (Tet), a bisbenzylisoquinoline alkaloid from Stephania tetrandra, is noted for its diverse pharmacological effects but faces limitations in clinical use due to toxicity, poor solubility, and low bioavailability. Researchers are working to address these issues by developing Tet derivatives with greater therapeutic potential through structural modification. Generally, key modifications include: 1) introducing an aromatic heterocycle or a hydrophobic alkyne unit at the C-5 position can enhance its antitumor activity; 2) adding an amide, sulfonamide, or electron-withdrawing group at the C-14 position can enhance its antitumor activity; 3) changing its structure to a quaternary ammonium salt can alter its solubility and greatly boost its antibacterial activity; 4) structural modification of the C-12-methoxybenzyl motif can enhance its metabolic stability and thus change the activity of the analogs; 5) Tet structural simplification may result in the identification of anticancer lead compounds with novel mechanisms of action. This review systematically summarizes these modification strategies and evaluates the biological activities of Tet derivatives, aiming to guide further optimization and facilitate the discovery of lead analogs with improved efficacy. The future direction and possibility of Tet structural optimization are also considered.","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"1-14"},"PeriodicalIF":3.2,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142739046","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

Autophagy degradation: a promising dimension in drug discovery for neurodegenerative diseases. 自噬降解：神经退行性疾病药物发现的一个前景广阔的领域。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2024-11-27 DOI: 10.1080/17568919.2024.2431477

Shuai-Jiang Liu, Chenxi Cai, Hong-Ping Zhu, Xiang Li, Bo Han

引用次数: 0

New pyrano-pyridine conjugates as potential anticancer agents: design, synthesis and computational studies. 作为潜在抗癌剂的新吡喃吡啶共轭物：设计、合成和计算研究。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2024-11-24 DOI: 10.1080/17568919.2024.2431475

Aladdin M Srour, Eman S Nossier, Najla A Altwaijry, Safeya M Mousa, Hanem M Awad, Heba S A Elzahabi

引用次数: 0

New 4-amino-3-chloro benzoate ester derivatives as EGFR inhibitors: synthesis, in silico and biological analyses. 作为表皮生长因子受体抑制剂的新型 4-氨基-3-氯苯甲酸酯衍生物：合成、硅学和生物学分析。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2024-11-20 DOI: 10.1080/17568919.2024.2431478

Nedaa A Abd Al Rahim, Ammar A Razzak Mahmood, Lubna H Tahtamouni, Mai F AlSakhen, Salem R Yasin, Abdulrahman M Saleh

{"title":"New 4-amino-3-chloro benzoate ester derivatives as EGFR inhibitors: synthesis, in silico and biological analyses.","authors":"Nedaa A Abd Al Rahim, Ammar A Razzak Mahmood, Lubna H Tahtamouni, Mai F AlSakhen, Salem R Yasin, Abdulrahman M Saleh","doi":"10.1080/17568919.2024.2431478","DOIUrl":"10.1080/17568919.2024.2431478","url":null,"abstract":"Aim: The main goal of this study was to synthesize new derivatives of 4-amino-3-chloro benzoate ester, including 1,3,4-oxadiazole derivatives (N3a-d), benzohydrazone derivatives (N4a-c), and hydrazine-1-carbothioamide derivatives (N5a-d) that target epidermal growth factor receptor (EGFR) tyrosine kinase.Materials & methods: The new derivatives were characterized using various spectroscopic techniques. Docking studies were used to investigate the binding patterns to EGFR, and the anti-proliferative properties were tested in vitro.Results: In silico analysis showed that the hydrazine-1-carbothioamide derivatives (N5a-d) had the best matching pattern with EGFR pharmacophoric queries compared to erlotinib, exhibited a favorable safety profile, and showed the best stability among the tested compounds. Compound N5a induced cytotoxicity in the three cancer cell lines tested (A549, HepG2, and HCT-116), by targeting EGFR and activating caspase 3 and caspase 8, therefore, inducing the extrinsic apoptotic pathway.Conclusion: The results of this study show that compound N5a is a promising cytotoxic compound that inhibits the tyrosine kinase activity of EGFR.","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"1-16"},"PeriodicalIF":3.2,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142681440","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

Design and synthesis of new nicotinamides as immunomodulatory VEGFR-2 inhibitors and apoptosis inducers. 作为免疫调节 VEGFR-2 抑制剂和细胞凋亡诱导剂的新型烟酰胺的设计与合成。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2024-11-14 DOI: 10.1080/17568919.2024.2421150

Reda G Yousef, Ibrahim H Eissa, Hazem Elkady, Ahmed B M Mehany, Mariam Ali Abo-Saif, Mohamed M Radwan, Mahmoud A ElSohly, Ibrahim M Ibrahim, Alaa Elwan, Mohamed Ayman El-Zahabi

引用次数: 0

Synthesis of arylated tetrahydrobenzo[H]quinoline-3-carbonitrile derivatives as potential hits for treatment of diabetes. 合成芳基化四氢苯并[H]喹啉-3-甲腈衍生物，作为治疗糖尿病的潜在药物。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2024-11-12 DOI: 10.1080/17568919.2024.2419359

Faiza Seraj, Fouzia Naz, Musa Özil, Nimet Baltaş, Syeda Sumayya Tariq, Zaheer Ul-Haq, Uzma Salar, Muhammad Taha, Khalid Mohammed Khan

{"title":"Synthesis of arylated tetrahydrobenzo[H]quinoline-3-carbonitrile derivatives as potential hits for treatment of diabetes.","authors":"Faiza Seraj, Fouzia Naz, Musa Özil, Nimet Baltaş, Syeda Sumayya Tariq, Zaheer Ul-Haq, Uzma Salar, Muhammad Taha, Khalid Mohammed Khan","doi":"10.1080/17568919.2024.2419359","DOIUrl":"https://doi.org/10.1080/17568919.2024.2419359","url":null,"abstract":"Aim: Quinoline scaffolds are serving as the core structure for numerous antifungal, analgesic, antipyretic, anti-inflammatory drugs as well as have also been investigated for their potential antidiabetic properties. Though further exploration is required in this area as the current antidiabetic agents, such as acarbose, miglitol and voglibose, are associated with several adverse side effects. In this context, arylated tetrahydrobenzo[H]quinoline-3-carbonitrile derivatives were designed and evaluated as potential antidiabetic agents.Materials & methods: A one-pot multicomponent reaction of 6-methoxy-1-tetralone with ethyl cyanoacetate, ammonium acetate and varying aldehydes yielded a range of new arylated tetrahydrobenzo[h]quinoline-3-carbonitrile molecules 1-36.Results: Compounds 2-5, 12, 13, 19 and 32-34 showed excellent inhibition against α-amylase (IC50 = 3.42-15.14 μM) and α-glucosidase (IC50 = 0.65-9.23 μM) enzymes in comparison to the standard acarbose (IC50 = 14.35 μM). In addition, all compounds revealed significant to moderate DPPH radical scavenging activity (SC50 = 21.30-138.30 μM) compared with BHT (SC50 = 64.40 μM). Kinetic studies confirmed competitive inhibition mode, while molecular docking studies comprehend ligands' interaction with enzyme's active sites and absorption, distribution, metabolism, and excretion analysis confirms that all synthetic derivatives are nontoxic.Conclusion: This research offers a range of lead candidates to become antidiabetic agents after further advanced study.","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"1-17"},"PeriodicalIF":3.2,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142618084","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