Medicinal Chemistry最新文献_第3页

In silico Identification and Computational Screening of Potential AFP Inhibitors Against Liver Cancer. 抗肝癌潜在AFP抑制剂的计算机鉴定和计算筛选。

IF 1.9 4区医学

Medicinal Chemistry Pub Date : 2025-02-10 DOI: 10.2174/0115734064330103250106034126

Hassan Bin Waseem, Muhammad Shakeel, Faiz-Ul Hassan, Asma Yaqoob, Azhar Iqbal, Amina Khalid, Hafiza Nisha Akram, Noshaba Dilbar, Saad Qamar, Rana Adnan Tahir, Sheikh Arslan Sehgal

{"title":"In silico Identification and Computational Screening of Potential AFP Inhibitors Against Liver Cancer.","authors":"Hassan Bin Waseem, Muhammad Shakeel, Faiz-Ul Hassan, Asma Yaqoob, Azhar Iqbal, Amina Khalid, Hafiza Nisha Akram, Noshaba Dilbar, Saad Qamar, Rana Adnan Tahir, Sheikh Arslan Sehgal","doi":"10.2174/0115734064330103250106034126","DOIUrl":"https://doi.org/10.2174/0115734064330103250106034126","url":null,"abstract":"Introduction: Liver cancer is considered one of the most common types of cancer and a major cause of ephemerality worldwide having a higher prevalence rate in Asia and sub-Saharan Africa. The alpha-fetoprotein (AFP) is a serum glycoprotein that belongs to a class of oncodevelopmental proteins and is also involved in tumor formation.Methods: In the current effort, a hybrid approach of virtual screening followed by pharmacophore generation and molecular dynamic simulation analyses were performed. The screened top-ranked 10 docked compounds from the selected anti-cancer compound library were utilized to generate the ligand-based pharmacophore. Virtual screening was performed two-dimensional similarity search against the selected natural compound library based on their physicochemical properties. It was observed that all the compounds from the anti-cancer compound library and natural compound library showed similar binding resides.Results: Therefore, the top-ranked screened compounds that showed the least binding energy and highest binding affinity against AFP, obtained through the anti-cancer drug library and natural compound library were reported. The molecular docking analyses revealed that Leu-219, His-222, Lys-242, Lys-246, His-316, Glu-318, Ala-366, Val-367, Gly-475, Ile-479, Ala-471, Asp-478 were observed as potential residues for interaction.Conclusion: The observed results of virtual screening, molecular docking, and MD simulation analyses entail noteworthy observations illustrating that NC002 was a potent inhibitor. The proposed compound NC002 may have potential against liver cancer by targeting AFP based on MD simulation analyses, PCA, and MM-GBSA.","PeriodicalId":18382,"journal":{"name":"Medicinal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143414644","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

Discovery of the PARP1 Inhibitors from Natural Compounds Using Structure-Based Virtual Screening and Bioactivity Evaluation. 利用基于结构的虚拟筛选和生物活性评价从天然化合物中发现PARP1抑制剂。

IF 1.9 4区医学

Medicinal Chemistry Pub Date : 2025-02-07 DOI: 10.2174/0115734064350048241121110017

Dabo Pan, Yaxuan Huang, Dewen Jiang, Xiaojie Jin, Mingkai Wu, Jianjun Luo, Yonghao Zhang

{"title":"Discovery of the PARP1 Inhibitors from Natural Compounds Using Structure-Based Virtual Screening and Bioactivity Evaluation.","authors":"Dabo Pan, Yaxuan Huang, Dewen Jiang, Xiaojie Jin, Mingkai Wu, Jianjun Luo, Yonghao Zhang","doi":"10.2174/0115734064350048241121110017","DOIUrl":"https://doi.org/10.2174/0115734064350048241121110017","url":null,"abstract":"Background: PARP1 (poly ADP-ribose polymerase 1, also known as ADPRT1) plays a significant role in DNA repair and has become an attractive target for treating PARP1-related diseases, such as cancer.Objective: This study aimed to discover inhibitors targeting PARP1 from the phytochemicals of Huangbai (Phellodendron chinense Schneid.), Baixianpi (Dictamnus dasycarpus Turcz.), and Shechuangzi (Cnidium monnieri (L.) Spreng.).Methods: The chemical compositions of Huangbai, Baixianpi, and Shechuangzi were extracted from the HERB database. Next, a combination of molecular docking and PARP1 enzyme assay was used to identify PARP1 inhibitors from these chemical components. Finally, molecular dynamics simulation and binding free energy calculation were used to explore the detailed interaction mode of these inhibitors with PARP1.Results: A total of 507 chemical constituents of Huangbai, Baixianpi, and Shechuangzi were collected from the HERB database. Four potential PARP1 inhibitors were screened based on molecular docking and PARP1 enzyme assay. Demethyleneberberine exhibited strong PARP1 inhibitory activity with an IC50 value of 2.0 ± 0.8 μM. The IC50 values of the inhibitory activities of 8-hydroxy dictanmnine, meranzin hydrate, and osthol on PARP1 ranged from 44 μM to 76 μM. Molecular dynamics simulation and binding free energy calculation suggested that the nonpolar interaction energies of HIS862, GLY863, TYR889, TYR896, PHE897, and TYR907 played a primary role in the binding of inhibitors to PARP1.Conclusion: Integrating molecular simulation and bioactivity testing was found to be an effective approach for the rapid discovery of targeted PARP1 inhibitors. Demethyleneberberine demonstrated strong PRAP1 inhibitory activity and has a good prospect for development.","PeriodicalId":18382,"journal":{"name":"Medicinal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143414706","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 Biological Potential of 2-Pyridones: Synthesis, Antioxidant and Antimicrobial Activity of N-Phenacylated 5/6-Chloro-2-pyridones. 释放2-吡啶酮的生物学潜力：n -苯酰化5/6-氯-2-吡啶酮的合成、抗氧化和抗菌活性。

IF 1.9 4区医学

Medicinal Chemistry Pub Date : 2025-02-07 DOI: 10.2174/0115734064336556250116195638

Sarita Sangwan, Sonu Chauhan, Neelam Yadav, Ravi Kumar, Anil Duhan, Vinod Malik

{"title":"Unlocking the Biological Potential of 2-Pyridones: Synthesis, Antioxidant and Antimicrobial Activity of N-Phenacylated 5/6-Chloro-2-pyridones.","authors":"Sarita Sangwan, Sonu Chauhan, Neelam Yadav, Ravi Kumar, Anil Duhan, Vinod Malik","doi":"10.2174/0115734064336556250116195638","DOIUrl":"https://doi.org/10.2174/0115734064336556250116195638","url":null,"abstract":"Aim: A simple and efficient synthesis of 14 new (9a-9n) N-phenacyl-2-pyridones with good yields (up to 75%), is reported. The synthesized derivatives were screened for their in vitro radical scavenging activity against 1,1-diphenyl-2-picrylhydrazyl (DPPH), their in vitro antimicrobial potential was tested against human pathogenic bacterial strains, including Bacillus cereus, Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa, as well as the fungal strain Candida albicans.Method: All compounds displayed modest antioxidant activity, with compound 9b being the most potent in the DPPH radical scavenging assay. Most of the synthesized compounds exhibited good to excellent antimicrobial activity, however, the compounds (9d, and 9b) showed maximum inhibition zone diameters of 18.75, and 18.25mm respectively, demonstrating better antimicrobial potential than the standard drug streptomycin against Staphylococcus aureus.Result: However, the compound 9f was found most effective against Pseudomonas aeruginosa with a 23.25 mm zone of inhibition against a 17.50 mm zone of inhibition of the standard, streptomycin. Molecular docking of the compounds 9d and 9f with tyrosyl-tRNA synthetase revealed good binding with the target.Conclusion: The electron-withdrawing substituents on the aryl ring of synthesized N-phenacyl-2- pyridones improved the antioxidant activity, however, for Gram-positive bacteria, less lipophilic or more hydrophilic substituents, such as halogens, displayed better antimicrobial activity. Similarly, it was the more lipophilic substitutions on the aryl ring that improved the antimicrobial activity against Gram-negative bacteria.","PeriodicalId":18382,"journal":{"name":"Medicinal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143414687","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

Exploring Structural Requirement of Curcumin-Based CK2 Inhibitors as Anticancer Agents: 3D-QSAR, Pharmacophore Modeling, Virtual Screening, and Molecular Docking. 探索姜黄素CK2抑制剂作为抗癌药物的结构要求：3D-QSAR、药效团建模、虚拟筛选和分子对接。

IF 1.9 4区医学

Medicinal Chemistry Pub Date : 2025-02-04 DOI: 10.2174/0115734064330612241121071830

Firdous Fatima, Priyanshu Nema, Anushka Garhwal, Sushil Kumar Kashaw

{"title":"Exploring Structural Requirement of Curcumin-Based CK2 Inhibitors as Anticancer Agents: 3D-QSAR, Pharmacophore Modeling, Virtual Screening, and Molecular Docking.","authors":"Firdous Fatima, Priyanshu Nema, Anushka Garhwal, Sushil Kumar Kashaw","doi":"10.2174/0115734064330612241121071830","DOIUrl":"https://doi.org/10.2174/0115734064330612241121071830","url":null,"abstract":"Introduction: Casein Kinase 2 (CK2), discovered as one of the earliest protein kinases, is a ubiquitous Ser/Thr protein kinase-specific to acidic environments. CK2 has been implicated in regulating diverse cellular processes and has been linked to the onset of various diseases, including cancer.Method: Consequently, modulating CK2 function has emerged as a potential therapeutic strategy. However, currently, available CK2 inhibitors or modulators often lack sufficient specificity and potency.Results: The results were validated through QSAR of curcumin derivatives, Pharmacophore modeling, virtual screening performed for filtered curcumin-like featured derivatives from the database, and Molecular Docking approaches. Since there is a solved crystal structure of high-resolution Xray crystal structures of Human protein kinase CK2 alpha in complex with ferulic aldehyde.Conclusion: Also, structure-based virtual screening was performed against a total of 3253 compounds from different libraries, and only the top 4 best-hit compounds with exceptional docking scores exceeding >-7 kcal/mol (more than 7 kcal/mol) were screened and analyzed. However, to validate their therapeutic potential, these compounds require in-vitro evaluation to assess their CK2 targeting ability.","PeriodicalId":18382,"journal":{"name":"Medicinal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143364929","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

Bioactive Compounds from Myrica esculenta: Antioxidant Insights and Docking Studies on H+K+-ATPase and H2 Receptor Targets. 杨梅生物活性化合物：抗氧化见解及H+K+- atp酶和H2受体靶点的对接研究

IF 1.9 4区医学

Medicinal Chemistry Pub Date : 2025-02-04 DOI: 10.2174/0115734064366819250125070619

Rashmi Pathak, Phool Chandra

{"title":"Bioactive Compounds from Myrica esculenta: Antioxidant Insights and Docking Studies on H+K+-ATPase and H2 Receptor Targets.","authors":"Rashmi Pathak, Phool Chandra","doi":"10.2174/0115734064366819250125070619","DOIUrl":"https://doi.org/10.2174/0115734064366819250125070619","url":null,"abstract":"Background: Myrica esculenta (Myricaceae) are common in the Indian Himalayas. Traditional medicine uses it to treat chronic bronchitis, inflammation, stomach ulcers, anaemia, diarrhoea, asthma, and ear, throat, and nose disorders. Its varied medicinal benefits are recognised in the ayurvedic pharmacopoeia.Aim: Isolation of Bioactive Compounds from M. esculenta: Assessment of Antioxidant Activity and Molecular Docking Studies Targeting the H+K+-ATPase enzyme and H2 Receptor Material and Methods: The fruit of the Myrica esculenta plant was extracted. The total phenolic and total flavonoid content of the extract were determined. Following column chromatography, two phytoconstituents were identified by mass spectroscopy, FTIR, and NMR. The antioxidant activity of phytoconstituents was evaluated using the DPPH Scavenging Assay, Reactive Nitrogen Oxide Scavenging Assay, and Hydroxyl Free Radical Scavenging Assay. Then, molecular docking studies were performed against the H+K+-ATPase enzyme and H2 Receptor.Results: The research successfully extracted methanolic extract from M. esculenta by maceration, which yielded rich in flavonoids and phenolic content and isolated compounds using column chromatography, which was further characterized to be myricetin and catechin using Mass spectroscopy, FTIR, and NMR. The further evaluation of the antioxidant activity of compounds demonstrated significant activity with IC50 value indicating strong free radical scavenging activity. Molecular docking studies were performed against the H+K+-ATPase enzyme and H2 Receptor, revealing that both the compounds exhibit high binding affinity and favorable interactions with key sites.Conclusion: The findings suggest that the isolated compounds myricetin and catechin possess potential antioxidant activity and could be a potential therapeutic target for the H+K+-ATPase enzyme and H2 Receptor.","PeriodicalId":18382,"journal":{"name":"Medicinal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143364926","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

Exploring Pyridine-Based Schemes: A Comprehensive Review on their Synthesis and Therapeutic Applications. 吡啶类化合物的合成及治疗应用综述。

IF 1.9 4区医学

Medicinal Chemistry Pub Date : 2025-01-28 DOI: 10.2174/0115734064343054250108152240

Amruta M Balikai, M R Pradeep Kumar, Kalirajan Rajagopal, Mohammed Ali Alshehri, Safia Obaidur Rab, Mohamed H Nafady, Talha Bin Emran

{"title":"Exploring Pyridine-Based Schemes: A Comprehensive Review on their Synthesis and Therapeutic Applications.","authors":"Amruta M Balikai, M R Pradeep Kumar, Kalirajan Rajagopal, Mohammed Ali Alshehri, Safia Obaidur Rab, Mohamed H Nafady, Talha Bin Emran","doi":"10.2174/0115734064343054250108152240","DOIUrl":"https://doi.org/10.2174/0115734064343054250108152240","url":null,"abstract":"Pyridine and its derivatives are six-membered aromatic rings containing nitrogen, which are abundant in nature and indispensable in studying heterocyclic chemistry. They constitute significant chemical substances with numerous applications. The application of pyridine derivatives by incorporating metals in modern medicine is growing in relevance. Due to their convenient parallelization and various testing capabilities in the chemical domain, pyridine derivatives have attracted increased interest in the treatment of various disease states. This review aims to systematically evaluate and highlight the recent advancements in the synthesis (conventional, synthetic, and green approach) and biological activities of metal-based pyridine derivatives, including antioxidant, antimicrobial, and antitumor activities, while identifying promising candidates for further drug development. By consolidating all this knowledge underlying their biological effects, this review aims to pave the way for future research endeavors and encourage the exploration of pyridine derivatives as viable therapeutic agents across a diverse array of medical applications.","PeriodicalId":18382,"journal":{"name":"Medicinal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143059731","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

Integrating Machine Learning and Pharmacophore Features for Enhanced Prediction of H1 Receptor Blockers. 整合机器学习和药效团特征增强预测H1受体阻滞剂。

IF 1.9 4区医学

Medicinal Chemistry Pub Date : 2025-01-27 DOI: 10.2174/0115734064355393250121062539

Zaid Anis Sherwani, Mohammad Nur-E-Alam, Aftab Ahmed, Zaheer Ul-Haq

{"title":"Integrating Machine Learning and Pharmacophore Features for Enhanced Prediction of H1 Receptor Blockers.","authors":"Zaid Anis Sherwani, Mohammad Nur-E-Alam, Aftab Ahmed, Zaheer Ul-Haq","doi":"10.2174/0115734064355393250121062539","DOIUrl":"https://doi.org/10.2174/0115734064355393250121062539","url":null,"abstract":"Introduction: Histamine Type I Receptor Antagonists (H1 blockers) are widely used to mitigate histamine-induced inflammation, particularly in allergic reactions. Histamine, a biogenic amine found in endothelial cells, vascular smooth muscle, bronchial smooth muscle, and the hypothalamus, is a key player in these responses. H1 blockers are essential in cough syrups and flu medications and are divided into two generations: first-generation H1 blockers, which are sedating and have numerous side effects, and second-generation blockers, which are non-sedating and generally less toxic but may still exhibit cross-reactivity with other receptors.Method: In this study, a comprehensive database of compounds was utilized alongside fexofenadine as a benchmark to discover compounds with potentially superior efficacy and reduced side effect profiles. In particular, multidimensional K-means clustering, a machine-learning technique, was applied to identify compounds with chemical structures similar to fexofenadine.Result: Utilizing computational prediction of pharmacokinetic profile and molecular docking experiments, the action of these drugs on the H1 receptor was assessed. Furthermore, the crossreactivity of antihistamines was investigated by conducting a structure-based pharmacophore feature analysis of the docked poses of highly toxic antihistamines with various receptors.Conclusion: By identifying and proposing the removal of common toxic features, we aim to facilitate the development of antihistamines with fewer adverse effects.","PeriodicalId":18382,"journal":{"name":"Medicinal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143053002","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

Pyridine Derivatives: A Comprehensive Review of Their Potential as Anti-Diabetic Agents. 吡啶衍生物：作为抗糖尿病药物潜力的综合综述。

IF 1.9 4区医学

Medicinal Chemistry Pub Date : 2025-01-24 DOI: 10.2174/0115734064342827241230053148

Deepak Dua, Prakash Kumar, Riya Anand, Salvi Sood, Gurdeep Singh

{"title":"Pyridine Derivatives: A Comprehensive Review of Their Potential as Anti-Diabetic Agents.","authors":"Deepak Dua, Prakash Kumar, Riya Anand, Salvi Sood, Gurdeep Singh","doi":"10.2174/0115734064342827241230053148","DOIUrl":"https://doi.org/10.2174/0115734064342827241230053148","url":null,"abstract":"Background: Diabetes mellitus and obesity are two of the most frequent health conditions in the world, prompting medical researchers to seek novel effective treatments. According to World Health Organization (WHO) regulations and several research studies, diabetes is regarded as a significant and leading health concern worldwide. The search for efficient and safe antidiabetic drugs has led to the study of pyridine derivatives, a family of molecules with a wide range of pharmacological characteristics. Pyridines are important heterocyclic chemicals renowned for their various pharmacological properties.Methods: Materials were compiled using the three databases of ScienceDirect, PubMed, and Google Scholar. For this study, only English-language publications have been evaluated based on their titles, abstracts, and full texts using keywords like diabetes, pyridine Derivatives, α- glucosidase inhibitors, and α-amylase inhibitors.Results: Pyridine and its derivatives have received a lot of attention due to their wide range of potential uses in medicinal chemistry and pharmacology. Structural alterations and optimization efforts have resulted in higher effectiveness, selectivity, and safety characteristics. These discoveries highlight the importance of pyridine analogues as a novel class of therapeutic agents for diabetes management.Conclusion: The review highlights the significance of pyridine analogues in the development of antidiabetic treatments, opening new avenues for developing drugs and clinical use. The ongoing advancements in the discovery of pyridine derivatives underscore their potential as prospective agents in diabetic treatments.","PeriodicalId":18382,"journal":{"name":"Medicinal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143047234","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

A Comprehensive Review: Synthesis and Pharmacological Activities of 1,3,4-Oxadiazole Hybrid Scaffolds. 1,3,4-恶二唑杂化支架的合成及药理活性综述。

IF 1.9 4区医学

Medicinal Chemistry Pub Date : 2025-01-23 DOI: 10.2174/0115734064354700241202174614

Suman Lata, Lucky Choudhary, Ankita Bharwal, Amit Pandit, Vikrant Abbot

{"title":"A Comprehensive Review: Synthesis and Pharmacological Activities of 1,3,4-Oxadiazole Hybrid Scaffolds.","authors":"Suman Lata, Lucky Choudhary, Ankita Bharwal, Amit Pandit, Vikrant Abbot","doi":"10.2174/0115734064354700241202174614","DOIUrl":"https://doi.org/10.2174/0115734064354700241202174614","url":null,"abstract":"Introduction: Heterocyclic derivatives, particularly those containing heteroatoms such as oxygen and nitrogen, represent a significant portion of currently marketed drugs. Among these, the aromatic heterocycle 1,3,4-oxadiazole, characterized by an N=C=O-linkage, stands out due to its remarkable biological activities. These activities include anti-inflammatory, anti-cancer, antioxidant, anti-tubercular, antiviral, anti-diabetic, and antibacterial effects. Notably, several commercially available medications, such as tiodazosin, raltegravir, zibotentan, and nesapidil, incorporate this structural motif.Methods: This review compiles and analyzes existing synthetic methods for preparing 1,3,4- oxadiazole and its derivatives. By examining various synthetic routes and methodologies, the review provides a detailed overview of the strategies employed to generate these biologically active compounds.Results: The review highlights the potential of 1,3,4-oxadiazole derivatives in addressing the toxicity, side effects, and drug resistance commonly associated with existing anticancer therapies. By combining the 1,3,4-oxadiazole moiety with other heteroatoms, novel hybrid derivatives have been synthesized, demonstrating enhanced pharmacological activities across various therapeutic areas.Conclusion: This comprehensive review offers valuable insights into the synthesis and pharmacological applications of 1,3,4-oxadiazoles. It serves as a crucial resource for researchers exploring the development of new therapeutic compounds, with the ultimate goal of improving public health. The review builds on existing literature from the last two decades to present an exhaustive examination of the potential of 1,3,4-oxadiazole derivatives in drug development.","PeriodicalId":18382,"journal":{"name":"Medicinal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143033442","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

Exploring 1-Azaaurones: A Concise Overview of Synthetic Strategies and Biological Activities. 探索1-氮杂龙：合成策略和生物活性的简明概述。

IF 1.9 4区医学

Medicinal Chemistry Pub Date : 2025-01-23 DOI: 10.2174/0115734064357796250120060204

Naveen Chauhan, Suresh Kumar

{"title":"Exploring 1-Azaaurones: A Concise Overview of Synthetic Strategies and Biological Activities.","authors":"Naveen Chauhan, Suresh Kumar","doi":"10.2174/0115734064357796250120060204","DOIUrl":"https://doi.org/10.2174/0115734064357796250120060204","url":null,"abstract":"Azaaurones are formed by the replacement of intra-cyclic oxygen of the central core of a five-membered furan ring or any other carbon of aurones by a nitrogen atom. However, 1- azaaurone obtained by the replacement of intra-cyclic oxygen is the most prominent and desirable. They are the bioactive compounds acting as potential anti-inflammatory, anticancer, antibacterial, and antiviral agents. They comprise relatively less explored, pharmacologically active compounds exhibiting diverse biological activities that can act as potential lead compounds in the context of drug development. This review represents a comprehensive and updated overview of the synthetic protocols and biological activities of 1-azaaurones and their derivatives, enabling the readers to know about the vast medicinal potential of azaaurones and their derivatives in different areas and prompt the medicinal chemists to emphasize their further exploration. Furthermore, this review also covers some important Structure-Activity Relationships (SAR), highlighting the most potential compounds in each series, providing pivotal scope for further improvisation.","PeriodicalId":18382,"journal":{"name":"Medicinal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143033450","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