Future medicinal chemistry最新文献_第4页

Design, synthesis, and molecular docking studies of thiazole derivatives against phospholipase A₂ (Naja oxiana) venom. 抗磷脂酶A2 （Naja oxana）毒液的噻唑衍生物的设计、合成及分子对接研究。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2025-03-01 Epub Date: 2025-03-17 DOI: 10.1080/17568919.2025.2478807

Bibi F Nayyab, Muhammad Shah, Muhammad H H B Asad, Asma Zaidi, Fiaz Alam, Abdul Mannan, Umer Rashid

{"title":"Design, synthesis, and molecular docking studies of thiazole derivatives against phospholipase A2 (Naja oxiana) venom.","authors":"Bibi F Nayyab, Muhammad Shah, Muhammad H H B Asad, Asma Zaidi, Fiaz Alam, Abdul Mannan, Umer Rashid","doi":"10.1080/17568919.2025.2478807","DOIUrl":"10.1080/17568919.2025.2478807","url":null,"abstract":"Aim: Cobra venom phospholipase A2 (PLA2) has been known to induce life threatening effects post-envenomation in the victims. Being the most abundant and noxious component of snake venom, present study was envisaged to investigate new drug candidates against PLA2 enzyme.Methods: Amide and sulfonamide thiazole derivatives were synthesized and characterized using FTIR, 1HNMR and 13CNMR followed by docking targeted protein techniques. Furthermore, synthetic analogues were evaluated in vitro for their potentials to neutralize PLA2 activity.Results: Among the pool of synthetic derivatives, compound (7) (ethyl 2-(2-(4-isobutylphenyl)propanamido)thiazole-4-carboxylate) was found to be completely effective (p > 0.05; IC50 = 1 nM) to mask cent percent PLA2 activity. Moreover, Ramachandran plot further conferred about the location of amino acid residues in the most favored region and, therefore, attributed to confiscate PLA2 activity. Furthermore, ADME profile suggested that compound (7) possesses systemic bioavailability and efficacy with favorable safety profile (high solubility, membrane permeability, metabolic stability, and low potential for off-target results).Conclusion: Present study highlighted compound (7) as a potential PLA2 inhibitor to reverse PLA2-induced snake venom poisoning in future.","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"659-667"},"PeriodicalIF":3.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11938964/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143647983","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

A comprehensive insight into naphthalimides as novel structural skeleton of multitargeting promising antibiotics. 萘酰亚胺作为新型多靶点有前景的抗生素结构骨架的全面研究。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2025-03-01 Epub Date: 2025-02-16 DOI: 10.1080/17568919.2025.2463872

Lin-Li Mou, Xin-Miao Wu, Aisha Bibi, Jin-Xin Wang, Cheng-He Zhou

{"title":"A comprehensive insight into naphthalimides as novel structural skeleton of multitargeting promising antibiotics.","authors":"Lin-Li Mou, Xin-Miao Wu, Aisha Bibi, Jin-Xin Wang, Cheng-He Zhou","doi":"10.1080/17568919.2025.2463872","DOIUrl":"10.1080/17568919.2025.2463872","url":null,"abstract":"The globally growing antimicrobial resistance seriously threatens human health, increasing efforts have been devoting to the development of novel antibiotics. Naphthalimides contain a special skeleton of cyclic double imides and the naphthalene framework, this unique structure can exert multitargeting abilities which are helpful to overcome the escalating issue of resistance. Therefore, research in connection with the development of naphthalimides as novel antimicrobial agents is becoming progressively active. It has been revealed that naphthalimides as novel structural skeleton of multitargeting promising antibiotics could not only target DNAs and enzymes, disturb membrane, produce reactive oxygen species, etc. suggesting the multitargeting actions which do not induce resistance, but also show a broad antimicrobial spectrum with safety profile and pharmacokinetic characteristics, implying large potential as a new type of antibiotics via continuous efforts toward antimicrobial naphthalimides. This review presents naphthalimides as a new type of potential antimicrobial agents and discusses rational design strategies, structure-activity relationships, and mechanisms of action, with a comprehensive view to providing a new insight for in the rational design of efficient, broad-spectrum, and low-toxic naphthalimide antibiotics.","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"575-590"},"PeriodicalIF":3.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11901364/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143432817","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

Advancements in PROTAC-based therapies for neurodegenerative diseases. 基于protac的神经退行性疾病治疗进展

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2025-03-01 Epub Date: 2025-02-11 DOI: 10.1080/17568919.2025.2463310

Deyuan Kong, Liying Meng, Pengfei Lin, Guanzhao Wu

{"title":"Advancements in PROTAC-based therapies for neurodegenerative diseases.","authors":"Deyuan Kong, Liying Meng, Pengfei Lin, Guanzhao Wu","doi":"10.1080/17568919.2025.2463310","DOIUrl":"10.1080/17568919.2025.2463310","url":null,"abstract":"Neurodegenerative diseases are characterized by impairments in movement and cognitive functions. These disorders are frequently associated with the accumulation of misfolded protein aggregates, which present significant challenges for treatment with conventional small-molecule inhibitors. While FDA-approved amyloid-beta-directed antibodies, such as Lecanemab, have recently shown clinical success in modifying disease progression, there are currently no treatments capable of curing neurodegenerative diseases. Emerging technologies like proteolysis-targeting chimeras (PROTACs) offer additional promise by targeting disease-causing proteins for degradation, potentially opening new therapeutic avenues. Recent experiments have demonstrated that PROTACs can specifically target and degrade pathogenic proteins associated with neurodegenerative diseases, thereby offering potential therapeutic avenues. This review discusses the latest advances in employing PROTACs for treating neurodegenerative diseases and delves into the associated challenges and opportunities. Our goal is to provide researchers in drug development with new insights on creating novel PROTACs for therapeutic applications.","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"591-605"},"PeriodicalIF":3.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11901405/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143390703","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

Expecting medication misuse: a proactive approach to drug discovery to prevent fatal overdose. 预期药物滥用：预防致命过量药物发现的前瞻性方法。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2025-03-01 Epub Date: 2025-03-17 DOI: 10.1080/17568919.2025.2476388

Eileen Carry, Ariane Vasilatis, Anna Laroche Johnson, Jake William Ryan

{"title":"Expecting medication misuse: a proactive approach to drug discovery to prevent fatal overdose.","authors":"Eileen Carry, Ariane Vasilatis, Anna Laroche Johnson, Jake William Ryan","doi":"10.1080/17568919.2025.2476388","DOIUrl":"10.1080/17568919.2025.2476388","url":null,"abstract":"Misuse of central nervous system (CNS) depressants (alprazolam, fentanyl, etc.) is a major cause of fatal overdose, with a high prevalence of deaths involving polydrug interactions from the victim's own prescriptions. Thus, there is an urgent need to improve the safety of CNS depressants to prevent fatalities. Pharmacological pursuits aiming to prevent harm through the design of non-addictive alternatives have either failed before clinical trials or produced mediocre treatment alternatives. Therefore, we propose a new perspective for medicinal chemists: rather than aiming to prevent misuse, we must design new central nervous system (CNS) depressants under the expectation of misuse. By shifting the design focus to partial modulators rather than full agonists, we can develop novel chemical entities (NCEs) that intrinsically minimize physical harm caused by misuse without sacrificing therapeutic efficacy. In this perspective, we provide an overview of the two most widely misused classes of medications (opioid and GABAA receptor modulators) in relation to pharmacodynamic properties and clinical outcomes. We then suggest a drug discovery pathway focused on physiological parameters. It is our opinion that this approach would dramatically decrease the lethality of overdose and improve outcomes of treatments for pain, anxiety, and withdrawal from alcohol, benzodiazepines, and opioids.","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"681-692"},"PeriodicalIF":3.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11938974/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143647987","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

Synergistic anti-inflammatory and anti-tb effects of Au-Pt-Cu nanofluids: experimental and computational insights. Au-Pt-Cu纳米流体的协同抗炎和抗结核作用：实验和计算见解。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2025-03-01 Epub Date: 2025-03-21 DOI: 10.1080/17568919.2025.2478818

Amit Dubey, Manish Kumar, Amer M Alanazi, Aisha Tufail, Abhay D Bagul

引用次数: 0

How does machine learning augment alchemical binding free energy calculations? 机器学习如何增强炼金术结合自由能的计算？

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2025-03-01 Epub Date: 2025-02-08 DOI: 10.1080/17568919.2025.2463870

Ingo Muegge, Yunhui Ge

引用次数: 0

Key targets for small molecule drugs on the IGF1 signaling pathway. IGF1信号通路上小分子药物的关键靶点。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2025-02-20 DOI: 10.1080/17568919.2025.2470105

Haim Werner

引用次数: 0

The versatility of phenothiazines as an anticancer drug scaffold. 吩噻嗪作为抗癌药物支架的多功能性。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2025-02-01 Epub Date: 2025-01-19 DOI: 10.1080/17568919.2025.2453417

Arun Kumar, Deepak Kumar

引用次数: 0

Pharmaceutical technological trends containing flavonoids: a patent review. 含黄酮类化合物的制药技术趋势：专利回顾。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2025-02-01 Epub Date: 2025-01-21 DOI: 10.1080/17568919.2025.2453408

Ana Maria Santos Oliveira, Anamaria Mendonça Santos, José Adão Carvalho Nascimento Júnior, Cláudio Carvalho Santana Júnior, João Rafael Lisboa Rego Brito, Jussara Secundo Dos Santos, Saravanan Shanmugam, Paula Dos Passos Menezes, Luiza Abrahão Frank, Mairim Russo Serafini

{"title":"Pharmaceutical technological trends containing flavonoids: a patent review.","authors":"Ana Maria Santos Oliveira, Anamaria Mendonça Santos, José Adão Carvalho Nascimento Júnior, Cláudio Carvalho Santana Júnior, João Rafael Lisboa Rego Brito, Jussara Secundo Dos Santos, Saravanan Shanmugam, Paula Dos Passos Menezes, Luiza Abrahão Frank, Mairim Russo Serafini","doi":"10.1080/17568919.2025.2453408","DOIUrl":"10.1080/17568919.2025.2453408","url":null,"abstract":"Flavonoids such as silibinin, hesperetin, and phloretin exhibit well-documented biological activities, including anti-inflammatory, cytoprotective, anticarcinogenic, and antioxidant effects. However, their clinical application remains limited due to challenges such as poor aqueous solubility, low bioavailability, and restricted intestinal absorption, which can significantly reduce their pharmacological efficacy. This review analyzed patents related to innovative pharmaceutical technologies for flavonoids. The analysis used databases from the World Intellectual Property Organization and the European Patent Office. Following a comprehensive screening process, 38 patents were selected for detailed examination. These patents highlighted numerous studies on novel formulations, characterizations, and proprietary conditions. This review highlights technologies, such as nanocapsules, nanoemulsions, solid dispersions, phospholipid carriers, inclusion complexes, microemulsions, and other advanced systems, which enhance bioactive molecules' water solubility and stability. Consequently, these technologies improve permeability and absorption through the intended administration route, demonstrating the potential of flavonoids as promising candidates for various treatments, particularly when integrated into pharmaceutical technologies.","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"363-379"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11792795/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143003325","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

The next generation of drug resistant tuberculosis drug design. 下一代耐药结核病药物的设计。

IF 3.2 4区医学

Future medicinal chemistry Pub Date : 2025-02-01 Epub Date: 2025-01-15 DOI: 10.1080/17568919.2025.2453406

Vinayak Singh

引用次数: 0