Current topics in medicinal chemistry最新文献

{"title":"Review on the Phytochemistry and Pharmacological Potential of Saffron (Crocus sativus L.).","authors":"Sonia Singh, Khushi Sharma","doi":"10.2174/0115680266352428250130112654","DOIUrl":"https://doi.org/10.2174/0115680266352428250130112654","url":null,"abstract":"<p><p>Saffron has been used in Chinese medicine for a very long time, dating back to 1979, when it was first brought inside of China. According to Traditional Chinese medicine, saffron has a sweet, moderately chilly character, and it has remarkable effects on the liver and heart systems. In addition, this spice stimulates blood circulation, removes blood stasis, reduces blood temperature, and eradicates heat-related toxins. The herb has been used to treat a variety of conditions, including pain, hemoptysis, asthma, phlegm, sleeplessness, depression, anxiety, and Alzheimer's disease. Saffron has over seventy different bioactive components, the most important of which are crocin, crocetin, and safranal. These three components are responsible for the distinctive color and flavor of saffron. This article briefly covers the phytochemistry and pharmacological potential of this uncommon herb.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143122385","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}

{"title":"Targeted Photodynamic Therapy for Drug-Resistant Pulmonary Tuberculosis through Mycolic Acid and Cyclohexadiene-Aminophenyl Interactions.","authors":"Anwesha Sahu, Satyajit Mohanty, Tuhin Mukherjee","doi":"10.2174/0115680266371708250131062447","DOIUrl":"https://doi.org/10.2174/0115680266371708250131062447","url":null,"abstract":"","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143122386","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}

{"title":"A Recent Progress in Biological Activities of 1,3,4-thiadiazole and its Derivatives: A Review.","authors":"Sarah Chandurwala, Hardha Balachandran, B Gowramma, Yokkesh M, Vishal Pranav, J Vinethmartin, Aryan Jangra, Sowmiya Arun, Kaviarasan L","doi":"10.2174/0115680266344588241127031534","DOIUrl":"https://doi.org/10.2174/0115680266344588241127031534","url":null,"abstract":"<p><p>1,3,4-thiadiazole can be produced in several ways and has a wide range of possible biological uses. As a result, scientists have created novel procedures for producing 1,3,4-thiadiazole derivatives and their use in medicine. Among the activities are Anticancer, anticonvulsant, antimicrobial, antifungal, antiinflammatory, antiHIV, antidiabetic, antitubercular, antifungal, and other properties. We have compiled different biological activities of 1,3,4-thiadazole in this review study. Many researchers may find the material on this page helpful, which could result in the identification of new medicinal species beneficial to society.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143122375","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}

{"title":"Therapeutic Potential of Simvastatin: Cellular Mechanism, Binding Energetics, and Resistance Developments.","authors":"Shristy Verma, Rishabha Malviya, Sonali Sundaram, Saurabh Srivastava, Sathvik Belagodu Sridhar, Safia Obaidur Rab, Deependra Pratap Singh","doi":"10.2174/0115680266327892241223052456","DOIUrl":"https://doi.org/10.2174/0115680266327892241223052456","url":null,"abstract":"<p><p>Statins are a class of hypolipidemic agents that have been shown to promote osteogenic differentiation through enhanced alveolar bone recovery, inserted osseointegration, and cartilage regeneration. This review uses Molecular Docking (MD) simulations and additional Computer- Aided Drug Design (CADD) methods to present the state of the art in statin therapy. Furthermore, several studies have shown that factors such as limited overall absorption, metabolism in the first pass, and systemic side effects are among those that affect the oral administration of statins. In addition, these variables include susceptibility to efflux mechanisms, drug permeability, dissolution percentage, aqueous solubility, initial metabolism, and pre-systemic metabolism. Additionally examined are the pharmacokinetics of the statin and in vivo mechanisms of action. As a result of the numerous problems associated with the consumption of statins, including their low total bioavailability, first-pass metabolism, low aqueous solubility, and systemic adverse reactions, a non-oral mode of administration was looked into for this crucial and primary class of pharmacokinetic agents. However, to optimize bioavailability and minimize side effects, more research is required.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143122387","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}

{"title":"Phytochemicals of Biologically Active Fractions from Silene conoidea Leaves and Stems.","authors":"Akram Taleghani, Roya Moghimi, Samira Eghbali","doi":"10.2174/0115680266324758241223063534","DOIUrl":"https://doi.org/10.2174/0115680266324758241223063534","url":null,"abstract":"<p><strong>Background: </strong>Silene conoidea, a member of the Caryophyllaceae family, is a rare edible weed in Iran. It possesses various medicinal properties, including insecticidal, antimicrobial, antibacterial, and allelopathic effects.</p><p><strong>Methods: </strong>This study represents the investigation into the phytochemical contents, compounds, and biological activities of six different fractions [petroleum ether, chloroform, dichloromethane, ethyl acetate, methanol, and water] obtained from the leaves and stems of this species, with the aim of developing new natural drugs.</p><p><strong>Result: </strong>The methanol fractions of both the leaves and stems exhibited the highest levels of total phenolic and flavonoid contents and demonstrated strong antioxidant activity in the DPPH free radical scavenging method, with IC50 values of 5.1± 1.34 and 9.67 ± 0.02 μg/mL, respectively, surpassing the activity of BHT. Additionally, the chloroform and methanol fractions showed moderate antimicrobial activity against bacterial strains, with MIC values ranging from 0.0625 to 0.5 mg/ml when compared to gentamicin. The more active fractions [chloroform and methanol] were further analyzed to identify bioactive compounds. GC-MS analysis detected forty and forty-five compounds, representing 97.97% and 99.22% of the total composition, in the chloroform fractions of the leaves and stems, respectively. The main constituents of the leaves were fatty acid derivatives [54.66%] and terpene derivatives [21.94%], whereas the stems contained terpene derivatives [40.46%] and hydrocarbon derivatives [31.41%]. LC-ESI-MS analysis of the methanol fractions revealed the presence of common groups, including flavonoids, steroids, and triterpenoid saponins. Several bioactive compounds have been identified, including rutin, kaempferol-neohesperidoside derivative, diosmin, sileneoside, hesperidin, luteolin-di-O-glucoside, orientin-O-glucoside, vitexin- O-rhamnoside, and swertisin-O-glucoside. Heatmap analysis was conducted to visualize the differences in metabolite profiles among the samples.</p><p><strong>Conclusion: </strong>The analyzed fractions contained compounds with potential pharmacological activities.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143122382","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}

{"title":"Advances in Synthetic Lethality in Potential Oncology Therapeutic Approaches.","authors":"Feifei Yang, Huiyu Wang, Shule Fan, Huiran Qiu, Xiangzhi Li, Guangyao Shi, Zihao Li, Xiaotian Luan, Haigang Wu","doi":"10.2174/0115680266349547241231051447","DOIUrl":"https://doi.org/10.2174/0115680266349547241231051447","url":null,"abstract":"<p><p>Synthetic lethality represents a novel paradigm in molecular targeted cancer therapy. In synthetic lethality, perturbation of one gene alone does not hinder cell viability, yet simultaneous perturbation of both genes results in a loss of cellular viability. The presence of gene mutations in cancer cells, as opposed to normal cells, provides an opportunity for targeted therapies that mimic the effects of the second genetic mutation, enabling selective eradication of cancer cells. Recent advances in high-throughput screening technologies, such as CRISPR-Cas9 and RNA interference, have significantly enhanced the identification of synthetic lethal interactions, expanding the potential targets for therapeutic intervention. Challenges in exploiting synthetic lethality for cancer treatment include the complexities of tumor biology, limited comprehension of synthetic lethal interactions, drug resistance, and impediments in screening and clinical translation. Emerging strategies, such as combination therapies and novel drug designs, are being developed to overcome these obstacles. By virtue of its selective lethality towards cancer cells bearing specific genetic alterations, targeting synthetic lethal genes holds the promise to provide wider therapeutic windows compared to traditional cytotoxic chemotherapy. This review describes the current state of synthetic lethality applications in cancer treatment, encompassing both biological and methodological perspectives. It highlights the latest advancements in synthetic lethality with emerging interventional strategies. Furthermore, it explores future directions for research and clinical implementation, aiming to refine and expand the therapeutic potential of synthetic lethality in oncology.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143122377","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}

{"title":"Galegine, a Bioprivileged Alkaloid from Tithonia tubaeformis: Antipyretic Activity Insights.","authors":"Noor Ul Ain Nawaz, Muhammad Saeed, Shaheen Faizi, Irfan Ali, Muhammad Shafiq, Muhammad Shahid, Fazle Rabbi, Fahim Ullah Khan, Rabeea Sharif, Zaheer Ul-Haq, Khalid Mohammed Khan, Hassan A Hemeg, Waleed Al Abdulmonem, Abdullah S M Aljohani, Abdur Rauf","doi":"10.2174/0115680266333237241212071912","DOIUrl":"https://doi.org/10.2174/0115680266333237241212071912","url":null,"abstract":"<p><strong>Background: </strong>In continuation of our chemical and biological work on Tithonia tubaeformis, we evaluated the antipyretic activity of its extract which on fractionation gives a pure alkaloid galegine. Galegine a bioprivileged compound, is a hemiterpene bearing a guanidine group, which holds significant importance in medicinal chemistry. Biological activities such as antimicrobial, antidiabetic, anti-inflammatory, cardiovascular, anticancer, and antihypertensive, are often associated with guanidine-containing molecules.</p><p><strong>Objective: </strong>Given the biological importance of guanidine and in search of safe antipyretic agents from natural resources, an in vivo antipyretic activity of methanolic extract of T. tubaeformis and galegine was conducted to discover a potential hypothermic drug candidate from the plant.</p><p><strong>Methods: </strong>In vivo, the antipyretic activity of galegine (5, 25, and 50 mg/kg doses) and methanolic extract of T. tubaeformis (50, 100, and 200 mg/kg doses) was investigated by employing yeastinduced pyrexia in mice model. In silico molecular docking analysis involving target enzymes cyclooxygenase- 1 (COX-1), cyclooxygenase-2 (COX-2), and microsomal prostaglandin E synthase-1 (mPGES-1) was conducted. Additionally, galegine underwent ADME/T profiling using SwissADME and Protox-II tools to evaluate its bioavailability and safety profiles.</p><p><strong>Results: </strong>Both the extract and galegine showed a progressive dose-dependent reduction in body temperatures of the hyperthermic test animals. Moreover, in silico molecular docking analysis revealed significant binding affinities ranging from -3.58 to -5.41 kcal/mol. ADME/T analyses of galegine predicted its high drug-likeness and good safety profile.</p><p><strong>Conclusion: </strong>These biological and computational approaches supported T. tubaeformis in addressing pyrexia, with the isolated compound galegine emerging as a promising antipyretic agent.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143063997","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}

{"title":"Melatonin Overexpression in the Management of Alzheimer's Disease: Therapeutic Exploration.","authors":"Babita Gupta, Rishabha Malviya, Sonali Sundram, Sathvik Belagodu Sridhar, Deependra Pratap Singh","doi":"10.2174/0115680266327614241121050448","DOIUrl":"https://doi.org/10.2174/0115680266327614241121050448","url":null,"abstract":"<p><p>Alzheimer's Disease (AD), a progressive neurodegenerative disorder, is characterized by the accumulation of neurofibrillary tangles and β-amyloid plaques, leading to a decline in cognitive function. AD is characterized by tau protein hyperphosphorylation and extracellular β-amyloid accumulation. Even after much research, there are still no proven cures for AD. The neuroprotective, anti-inflammatory, and antioxidant qualities of melatonin, a hormone mostly produced by the pineal gland, have drawn interest as a possible treatment option for AD. This study looks at new evidence that suggests melatonin overexpression to be a promising therapy option for AD. Melatonin levels naturally decline with age and decrease more significantly in individuals with AD, worsening neurodegenerative processes. Melatonin has therapeutic potential as it inhibits Aβ formation, prevents amyloid fibril extension through structure-dependent interactions, and protects neurons from Aβ-induced toxicity. Melatonin promotes neurogenesis, which is decreased in AD, suggesting it may treat the disease's many pathologies. The review emphasizes the importance of melatonin's mechanisms of action, including its capacity to reduce neuroinflammation, regulate mitochondrial function, scavenge free radicals, and influence apoptotic pathways. As research into AD continues, this article provides a forward-looking perspective on how future studies could leverage melatonin's multifaceted neuroprotective properties to develop more effective treatments for AD.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143064013","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}

{"title":"Chemical Profiling, Antioxidant, and Antiproliferative Activities of Algerian Cistus creticus L. Leaf Extracts: Evidence from In vitro and In Silico Studies.","authors":"Yacine Aouiffat, Farouk Benaceur, Boulanouar Bakchiche, Imededdine Kadi, Fathi Berrabah, Hicham Gouzi, Sanaa K Bardaweel, Ashok K Shakya, Asmaa S Mohamed, Mosad A Ghareeb","doi":"10.2174/0115680266345222250109102407","DOIUrl":"https://doi.org/10.2174/0115680266345222250109102407","url":null,"abstract":"<p><strong>Background: </strong>Research into oxidative stress, cancer, and natural products revealed promising avenues for therapeutic intervention. Natural products are considered potent pharmaceuticals in combating oxidative stress and its relationship with cancer.</p><p><strong>Methods: </strong>This study was carried out to evaluate the chemical profile and antioxidant activities using DPPH, ABTS, Phenanthroline, Cupric, Phosphomolybdenum, FRAP, Hydroxyl, Iron chelation in vitro assays, and anticancer properties by MTT method of Cistus creticus extracts. The chemical composition was determined using the LC/MS-MS technique. Therefore, in silico methods, particularly molecular docking and dynamic simulation were applied for molecular interaction analysis.</p><p><strong>Results: </strong>The obtained results revealed a wide variety of phenolic compounds in all studied fractions, in their qualitative and quantitative distribution. In most antioxidant assays, the butanol and ethyl acetate extracts exhibited the most effective effects, followed by the aqueous extract, while the petroleum ether and chloroform fractions exhibited much lower activity in comparison with standards. In parallel, ethyl acetate, n-butanol, and chloroform extracts exhibited potent antiproliferative activity against T47D and A549 cell lines, while the aqueous extract showed an IC50 in the range of mg/ml. Moreover, the analysis of interactions identified compounds against particular targets in studied cell lines using molecular docking showed a great affinity, especially for the ligands Hesperidin, Luteolin-7-O-glucoside and Rutin. Also, the molecular dynamic simulation of the interacting complexes Hesperidin-mTOR, Lutin-EGFR and Apigenin-HER2 revealed precise interaction, providing insights into their stability and dynamic behavior. Furthermore, the studied ligand exhibited interesting pharmacokinetic properties with no reported toxicity.</p><p><strong>Conclusion: </strong>These findings confirmed the potential of Algerian Cistus creticus L. leaf extracts as promising therapeutic molecules for combating oxidative stress and cancer.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143058069","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}

{"title":"Roles of C/EBPβ/AEP in Neurodegenerative Diseases.","authors":"Jing Guo, Xin-Yi Liu, Sha-Sha Yang, Qiang Li, Yang Duan, Shan-Shan Zhu, Ke Zhou, Yi-Zhi Yan, Peng Zeng","doi":"10.2174/0115680266357822250119172351","DOIUrl":"https://doi.org/10.2174/0115680266357822250119172351","url":null,"abstract":"<p><p>In recent years, an increasing number of studies have shown that increased activation of aspartic endopeptidases (AEPs) is a common symptom in neurodegenerative diseases (NDDs). AEP cleaves amyloid precursor protein (APP), tau (microtubule-associated protein tau), α- synuclein (α-syn), SET (a 39-KDa phosphoprotein widely expressed in various tissues and localizes predominantly in the nucleus), and TAR DNA-binding protein 43 (TDP-43), and promotes their aggregation, contributing to Alzheimer's disease (AD), Parkinson's disease (PD), Huntington's disease, multiple sclerosis (MS), amyotrophic lateral sclerosis (ALS), and frontotemporal dementia (FTD) pathogenesis. Abundant evidence supports the notion that CCAAT/enhancer-binding protein β (C/EBPβ)/AEP may play an important role in NDDs. Developing its small molecule inhibitors is a promising treatment of NDDs. However, current research suggests that the pathophysiological mechanism of the C/EBPβ/AEP pathway is very complex in NDDs. This review summarizes the structure of C/EBPβ and AEP, their major physiological functions, potential pathogenesis, their small molecule inhibitors, and how C/EBPβ/AEP offers a novel pathway for the treatment of NDDs.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143051973","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}