Medicinal Chemistry Research最新文献

Synthesis of new Michael acceptors with cinnamamide scaffold as potential anti-breast cancer agents: cytotoxicity and ADME in silico studies 以肉桂酰胺为支架合成新的迈克尔受体，作为潜在的抗乳腺癌药物：细胞毒性和 ADME 的硅学研究

IF 2.6 4区医学

Medicinal Chemistry Research Pub Date : 2024-09-17 DOI: 10.1007/s00044-024-03307-y

Ruth P. Paulino, Rosemeire B. Alves, Heveline Silva, Rossimiriam P. de Freitas

{"title":"Synthesis of new Michael acceptors with cinnamamide scaffold as potential anti-breast cancer agents: cytotoxicity and ADME in silico studies","authors":"Ruth P. Paulino, Rosemeire B. Alves, Heveline Silva, Rossimiriam P. de Freitas","doi":"10.1007/s00044-024-03307-y","DOIUrl":"https://doi.org/10.1007/s00044-024-03307-y","url":null,"abstract":"In pursuit of potent inhibitors with antiproliferative effects against breast cancer, fifteen new compounds containing a Michael Acceptor Moiety (MAM) were synthesized. The cinnamamide scaffold, a natural source of MAM, was chosen for its versatile structural framework, which offers rich potential for chemical modifications and optimization of biological activity. The first step consisted of obtaining five unprotected amines (5a-e), yielding between 40% and 90% yield. Subsequently, these amines were coupled with various cinnamic acid derivatives, resulting in target products in yields ranging from 30% to 94%. This study aimed to assess the impact of these compounds on cell viability, focusing on two human breast cancer cell lines, MCF-7 and MDA-MB-231. Among the compounds examined, eight (7a, 7b, 7d, 7f-i, 7l) showed activity against MDA cells (IC50 range: 2.5–53.0 µM), and five (7b, 7 g-i, 7l) showed activity against MCF-7 cells (IC50 range: 11.2–50.6 µM). 7f was the most active molecule, with an IC50 of 2.5 µM toward MDA cells and a good selective index (SI = 7.9) toward a normal cell line (MCF-10A). In silico ADME studies were carried out with prospective compounds using the SwissADME tool.","PeriodicalId":699,"journal":{"name":"Medicinal Chemistry Research","volume":"48 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142263863","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

Iridoid for drug discovery: Structural modifications and bioactivity studies 用于药物发现的类铱：结构修饰和生物活性研究

IF 2.6 4区医学

Medicinal Chemistry Research Pub Date : 2024-09-16 DOI: 10.1007/s00044-024-03311-2

Mingtao Wang, Xinyue Zheng, Meng Yang, Jiating Ni, Qian Xiao, Hua Han, Peiliang Dong

引用次数: 0

Correction: Substituted furan-carboxamide and Schiff base derivatives as potential hypolipidemic compounds: evaluation in Triton WR-1339 hyperlipidemic rat model 更正：作为潜在降血脂化合物的取代呋喃甲酰胺和希夫碱衍生物：在 Triton WR-1339 高血脂大鼠模型中的评估

IF 2.6 4区医学

Medicinal Chemistry Research Pub Date : 2024-09-16 DOI: 10.1007/s00044-024-03300-5

Buthaina Hussein, Mohammad Alwahsh, Yusuf Al-Hiari, Laurance Bourghli, Basmah Al-Jammal, Tareq Al-Qirim, Nader R. AlBujuq, Rania Abu-zaid, Fadi G. Saqallah, Lama Hamadneh

引用次数: 0

Synthesis and antiproliferative activity of 7-substituted amide estradiol derivatives 7 取代酰胺类雌二醇衍生物的合成和抗增殖活性

IF 2.6 4区医学

Medicinal Chemistry Research Pub Date : 2024-09-16 DOI: 10.1007/s00044-024-03301-4

Chun-Fang Gan, Ying Li, Hua-Long Chen, Jia-Wei Yao, Yun-Qiong Gu, Bin Su, Zhi-Wei Zhong, Jian-Guo Cui, Yan-Min Huang, Zhi-Ping Liu

引用次数: 0

Quinazolinone-based subchemotypes for targeting HIV-1 capsid protein: design and synthesis 基于喹唑啉酮的用于靶向 HIV-1 外壳蛋白的亚化学型：设计与合成

IF 2.6 4区医学

Medicinal Chemistry Research Pub Date : 2024-09-15 DOI: 10.1007/s00044-024-03305-0

Thamina Akther, William M. McFadden, Huanchun Zhang, Karen A. Kirby, Stefan G. Sarafianos, Zhengqiang Wang

引用次数: 0

Medicinal significance of sp2/sp3 hybridized at C-3-substituted indole-containing lead molecules and FDA-approved drugs sp2/sp3杂化在C-3取代的含吲哚先导分子和FDA批准药物的药用意义

IF 2.6 4区医学

Medicinal Chemistry Research Pub Date : 2024-09-13 DOI: 10.1007/s00044-024-03308-x

Mohd Faiyyaz, Akanksha Tiwari, Nuzhat Bashir, Malik Nasibullah, Sahir Sultan Alvi, Mohammed Haris Siddiqui, Mohd Asif

{"title":"Medicinal significance of sp2/sp3 hybridized at C-3-substituted indole-containing lead molecules and FDA-approved drugs","authors":"Mohd Faiyyaz, Akanksha Tiwari, Nuzhat Bashir, Malik Nasibullah, Sahir Sultan Alvi, Mohammed Haris Siddiqui, Mohd Asif","doi":"10.1007/s00044-024-03308-x","DOIUrl":"https://doi.org/10.1007/s00044-024-03308-x","url":null,"abstract":"Herein, the privilege in favor of biological importance of indole-containing scaffolds related to the semi-synthetic and extracted from natural sources is summarized. Such compounds have shown notable medicinal significance and are used in the treatment of various carcinomas after FDA approval. The chemistry of indoles’ skeleton derivatives showed various conformations at specific conditions, including tautomerization, when they came into contact with polar solvents; consequently, such phenomena are responsible for enhancing the biological effect on enzymes. In the foregoing review study in the past decade, we demonstrated the biological significance and the transformation of drug analysis owing to resonating structures. Functionalize groups, it was noted that pi-bonds-unsaturated functions, sp1/2/3 hybridized methylene groups, cyclic ethers, primary amino groups, halogens, and staggered conformations displayed the most potent active drug-like molecules. The aim of this report is that drugs like lead molecules could be derivatized for the discovery of more effective drugs on the basis of their possible active sites on the surface in the future.","PeriodicalId":699,"journal":{"name":"Medicinal Chemistry Research","volume":"10 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142181136","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 review on phytochemical constituents, analytical data, and pharmacological properties of the genus Plumeria 关于梅属植物化学成分、分析数据和药理特性的综述

IF 2.6 4区医学

Medicinal Chemistry Research Pub Date : 2024-09-11 DOI: 10.1007/s00044-024-03303-2

Divyadeepika, Jyoti Joshi

{"title":"A review on phytochemical constituents, analytical data, and pharmacological properties of the genus Plumeria","authors":"Divyadeepika, Jyoti Joshi","doi":"10.1007/s00044-024-03303-2","DOIUrl":"https://doi.org/10.1007/s00044-024-03303-2","url":null,"abstract":"The genus Plumeria of the Apocynaceae family has a rich history of traditional medicines supported by empirical evidences. This review consolidates diverse biological attributes, phytochemical compositions, physical properties (melting point, shape, optical rotation, etc.), and analytical data (UV, IR, Mass spectroscopic data, elemental analysis) of various species of Plumeria. The review covered the chemistry of wide range of natural compounds like iridoids, triterpenoids, alkaloids, flavonoids, steroids, cardiac glycosides, quinones, anthocyanins, cardenolides, fatty acid esters, lignans, coumarins, etc. found in various species of the genus Plumeria. Analytical techniques including chromatography, IR, UV, and mass spectroscopy have significantly contributed to elucidating the complex chemical profiles of extracts of various species of Plumeria which are systematically presented in a tabular format. The review also defines the historical background, geographical distribution, and traditional uses of various species of the genus Plumeria. The review also includes the mechanisms of action and biotransformation of compounds, providing a deeper understanding of their therapeutic potential. The comprehensive review reveals the significance of the natural products isolated from a number of species of genus Plumeria. It is also suggestive that there is an extensive scope for further investigation to explore new therapeutic components of the genus Plumeria.","PeriodicalId":699,"journal":{"name":"Medicinal Chemistry Research","volume":"17 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142181137","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, synthesis, anti-tubercular activity, and computational studies of novel 3-(quinolin-3-yl)-1-phenylprop-2-en-1-one derivatives 新型 3-(喹啉-3-基)-1-苯基丙-2-烯-1-酮衍生物的设计、合成、抗结核活性和计算研究

IF 2.6 4区医学

Medicinal Chemistry Research Pub Date : 2024-09-10 DOI: 10.1007/s00044-024-03295-z

Neeru Bhanwala, Niranjana Sri Sundaramoorthy, Sirisha Gollapudi, Anita Sharma, Ramandeep Singh, Gopal L. Khatik

{"title":"Design, synthesis, anti-tubercular activity, and computational studies of novel 3-(quinolin-3-yl)-1-phenylprop-2-en-1-one derivatives","authors":"Neeru Bhanwala, Niranjana Sri Sundaramoorthy, Sirisha Gollapudi, Anita Sharma, Ramandeep Singh, Gopal L. Khatik","doi":"10.1007/s00044-024-03295-z","DOIUrl":"10.1007/s00044-024-03295-z","url":null,"abstract":"<div>Tuberculosis (TB) is a contagious disease caused by M. tuberculosis (Mtb) affecting people across the globe. Quinoline and chalcone cores have good anti-tubercular properties; thus, we have designed a hybrid scaffold containing quinoline and chalcone. A series of 3-(quinolin-3-yl)-1-phenylprop-2-en-1-one analogs 7a-p and 8a-k were synthesized through different reactions involving nucleophilic substitution, Vilsmeier Haack formylation, Claisen Schmidt condensation, and demethylation. Spectroscopic methods, including 1H NMR, 13C NMR, IR, and HRMS, were used to characterize all synthesized compounds. The anti-tubercular activity of compounds 7a-p and 8a-k was assessed against Mtb H37Rv (ATCC 27294). These compounds demonstrated anti-tubercular activity against H37Rv in the range of 6.25–50 μM. Swiss ADME’s in silico computational studies showed that the ADME parameters were better and had a good pharmacokinetic profile. The compounds 8a, 7a, and 7p showed the most potential as anti-TB activity against Mtb H37Rv in this study, with MIC values of 6.25 μM, 12.5 μM, and 10 μM, respectively.<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":699,"journal":{"name":"Medicinal Chemistry Research","volume":"33 10","pages":"1926 - 1937"},"PeriodicalIF":2.6,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142181142","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

Extraction and purification, pharmacological action, synthesis and product development of salidroside: a review 水杨梅甙的提取和纯化、药理作用、合成和产品开发：综述

IF 2.6 4区医学

Medicinal Chemistry Research Pub Date : 2024-09-08 DOI: 10.1007/s00044-024-03306-z

Yaxiao Liu, Linwei Dan, Jiamei Tang, Zitong Yin, Longzhu Yang, Dongdong Zhang, Xiaomei Song, Wei Wang, Yuze Li

{"title":"Extraction and purification, pharmacological action, synthesis and product development of salidroside: a review","authors":"Yaxiao Liu, Linwei Dan, Jiamei Tang, Zitong Yin, Longzhu Yang, Dongdong Zhang, Xiaomei Song, Wei Wang, Yuze Li","doi":"10.1007/s00044-024-03306-z","DOIUrl":"10.1007/s00044-024-03306-z","url":null,"abstract":"<div>Salidroside (Sal), a natural phenolic glycoside ubiquitous across all species of the Rhodiola genus, has garnered considerable attention in contemporary pharmacological research. Its multifaceted pharmacological profile encompasses anti-tumor, anti-hypoxia, anti-inflammatory, and anti-atherosclerotic properties, among others. Notably, its pharmacological repertoire extends to safeguarding against hypoxic injury, particularly in high-altitude environments. Furthermore, Sal serves as a key indicator for assessing the quality of Rhodiola. It is capable of exerting biological activity on the nervous system, cardiovascular system and internal organs of the body through various pathways and mechanisms, and thus has the potential to be therapeutically effective in the treatment of diseases associated with these systems. In order to optimize the effectiveness and safety of Sal’s application and ensure the isolation of highly pure and stable monomer components, its extraction and purification processes were refined. In addition, it is important to protect wild plant resources and meet market demand, as well as to explore Sal and its synthetic products, in consideration of its anti-altitude anoxia biological characteristics. Therefore, this paper reviewed the source, extraction and purification, pharmacological effects, biological activity, synthesis and product application of Sal, updated and deepened the understanding of Sal, and provided theoretical basis for the further research of Sal.<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":699,"journal":{"name":"Medicinal Chemistry Research","volume":"33 10","pages":"1804 - 1828"},"PeriodicalIF":2.6,"publicationDate":"2024-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142181139","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

Structural insights into G-quadruplex binding by metal complexes: implications for drug design 金属复合物结合 G 型四倍体的结构洞察：对药物设计的影响

IF 2.6 4区医学

Medicinal Chemistry Research Pub Date : 2024-09-07 DOI: 10.1007/s00044-024-03309-w

Tayler D. Prieto Otoya, Kane T. McQuaid, Christine J. Cardin

引用次数: 0