Protacs Targeting ERα in the Effective Management of Endocrinal Resistance Breast Cancer [0.03%]
应用 PROTAC 技术靶向 ERα 以有效管理内分泌耐受性乳腺癌
Anupriya Singh,Roshni Khan,Noora Amana Erachampatt et al.
Anupriya Singh et al.
The estrogen receptor is a central mediator of estrogen-driven gene expression, influencing a wide array of physiological processes. Conventional endocrine therapies, including selective estrogen receptor modulators (SERMs) and degraders (S...
Sequential Optimization Approach Toward an Azapeptide-Based SARS-CoV-2 Main Protease Inhibitor [0.03%]
基于阿扎肽的SARS-CoV-2主要蛋白酶抑制剂的序贯优化方法
Rabea Voget,Victoria Steiger,Julian Breidenbach et al.
Rabea Voget et al.
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), causative agent of the coronavirus disease 2019 (COVID-19), is still circulating and posing a health threat to the global population. Its main protease (Mpro) constitutes an ...
Multi-Angle Bioactivity Cartography for Computational Screening and Mechanistic Analysis of AChE Inhibitors From Yellow Gastrodia elata [0.03%]
基于多角度生物活性地图的黄姜曲花素AChE抑制剂计算筛选及机理分析
Ruijun Sun,Yuchi Zhang,Jingying Xu et al.
Ruijun Sun et al.
Acetylcholinesterase (AChE) inhibitors are crucial for the symptomatic management of Alzheimer's disease (AD), with natural products-particularly botanical sources like Yellow Gastrodia elata (YGE)-serving as promising reservoirs of such in...
Unraveling the Anticancer Activity of Sunitinib Derivatives Through Modifications in Solvent-Exposed Regions: Synthesis, In Vitro Evaluation, and Computational Studies [0.03%]
通过溶剂暴露区域的修饰解开索拉非尼衍生物的抗肿瘤活性：合成、体外评价和计算研究
Robby Gus Mahardika,Ade Danova,Chanat Aonbangkhen et al.
Robby Gus Mahardika et al.
This study modified the solvent-exposed region of sunitinib by replacing its diethylaminoethyl tail with linear and heterocyclic amines, guided by lipophilicity, steric, and electronic considerations to enhance the anticancer activity and s...
Quinoline/Pyrido-Pyrimidine Derivatives as Tubulin Polymerization Inhibitors: Design, Synthesis, Computational, and Anticancer Evaluation [0.03%]
喹啉/吡啶并嘧啶衍生物作为微管聚合抑制剂：设计、合成、计算及抗肿瘤评价
Divyakshi Arya,Gulshan Aara Khan,Shweta Singh et al.
Divyakshi Arya et al.
Cancer prevails a substantial health threat, with breast and colon cancers being the second and third most recurrent worldwide. In recent decades, quinoline/pyrido[2,3-d]pyrimidin-4(3H)-one derivatives have procured attention as propitious ...
Design, Synthesis, and Integrated In Silico-In Vitro Evaluation of Triazole-Linked Benz/Imidazole-2-Thione/Selone Derivatives as Selective CDK1 Inhibitors for Breast Cancer Therapy [0.03%]
作为选择性CDK1抑制剂用于乳腺癌治疗的三唑连接的苯并噻二唑衍生物的设计、合成及综合计算机辅助和实验研究
Alameer Ezat Abdulkareem,Ahmed Hassoon Mageed
Alameer Ezat Abdulkareem
Benz/imidazole-2-thione/selone-based triazoles, particularly their thione and selone analogs, are gaining attention for anticancer drug development due to their structural diversity and biological activity. However, their potential as targe...
Design, Synthesis, and Biological Evaluation of Novel Benzimidazole/Schiff Base Hybrid Derivatives With Potential Biological Activities [0.03%]
一类具有潜在生物活性的新型苯并咪唑/ Schiff碱衍生物的设计、合成及生物活性评价
Mohamed Y Abdel-Hady,Martha M Morcoss,Abdullah Yahya Abdullah Alzahrani et al.
Mohamed Y Abdel-Hady et al.
A novel series of benzimidazole-based derivatives (5a-g), (6a-b), and (7a-b) were designed, synthesized, and evaluated for their potential as dual inhibitors of EGFR and HER-2. The synthesized compounds were subjected to in vitro screening ...
Alantolactone as a Bioactive Sesquiterpene Lactone: Molecular Mechanisms and Anticancer Potential for Pharmaceutical Development [0.03%]
作为生物活性倍半萜内酯的芸香素：分子机制及其在药物研发中的抗癌潜力
Alice Njolke Mafe,Lipana Dorcas Bappa,Javad Sharifi-Rad et al.
Alice Njolke Mafe et al.
Cancer remains a major global health challenge, responsible for millions of deaths each year. The limitations of current therapies, including adverse effects and drug resistance, have intensified the search for safer, more effective alterna...
Support Vector Machine Identification of Small Molecule Binders to an Understudied Allosteric Site of SARS-CoV-2 Mpro for Next-Generation PROTAC-Based Therapeutics [0.03%]
基于支持向量机的SARS-CoV-2 Mpro小分子配体识别及其在新一代PROTAC抗新冠病毒药物中的应用研究
Enrico Mario Alessandro Fassi,Nedra Mekni,Marco Albani et al.
Enrico Mario Alessandro Fassi et al.
The emergence of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has underscored the urgent need for novel antiviral strategies. One of the primary targets of interest is the SARS-CoV-2 main protease (Mpro), which plays a c...
Uro-Protective Role of Lacosamide Against Cyclophosphamide-Induced Cystitis via Notch1/NICD/NF-κB Pathway: Network Pharmacology, Molecular Docking, and Rat Model Validation [0.03%]
拉考沙胺通过Notch1/NICD/NF-κB通路发挥对环磷酰胺诱导的膀胱炎uro-protective作用：网络药理学、分子对接及大鼠模型验证
Ahmed S Abdel-Samea,Mohammed R A Ali,Reham H Mohyeldin et al.
Ahmed S Abdel-Samea et al.
Cystitis, characterized by bladder inflammation, represents a significant clinical challenge in cancer chemotherapy, particularly with cyclophosphamide administration. Drug repurposing, which involves applying existing pharmaceuticals to ne...