Design, synthesis, characterization, computational analysis, structure-activity relationship, and investigation of the anticancer potential of novel dibromodibenzoazepine-based hybrid structures [0.03%]
新型二溴茋-哒嗪类杂环化合物的设计、合成、表征、计算分析、构效关系及其抗肿瘤潜力研究
Azza Allıto,Alper Onder,Ferah Comert Onder et al.
Azza Allıto et al.
Study on the structure-activity relationships of natural γ-pyranone products and their derivatives with anti-AD activities focusing on metal chelation [0.03%]
基于金属螯合作用的天然γ-吡喃酮及其衍生物抗阿尔茨海默活性构效关系研究
Junyi Mao,Caiyun Wang,Xiangyu Li et al.
Junyi Mao et al.
Alzheimer's disease (AD) is a neurodegenerative disorder characterized by progressive memory loss and cognitive impairment. It seriously affects the health and quality of life of the elderly. It has a complex pathogenesis including β-amylo...
Metal-free carbenoid C-H insertion: a versatile strategy for constructing fluorenes with quaternary carbon centers [0.03%]
无金属卡宾𬭩C-H插入反应：构建含四级碳中心的荧烯衍生物的有力工具
Lili Wu,Qiuzhan Huang,Cong-Ying Zhou et al.
Lili Wu et al.
Interpretable Quantitative Structure-Activity Relationship (QSAR) for identification of potent antifungal activity agents towards Candida albicans ATCC 2091 [0.03%]
用于识别抗白色念珠菌活性的有效剂的定量构效关系(QSAR)的解释模型
Mariusz Zapadka,Krzysztof Zbigniew Łączkowski,Anna Budzyńska et al.
Mariusz Zapadka et al.
Fungal infections are an increasing global health issue. Despite available treatments, fungal resistance reduces medicine effectiveness. This research conducted QSAR analysis on fifty-one 4-aryl-2-hydrazinothiazole derivatives previously ev...
Identification of novel VPS4 inhibitors using multi-tiered structure based virtual screening [0.03%]
基于结构的虚拟筛选结合实验验证发现新型VPS4抑制剂
Abdus Samad,Mussa Yussuf Khamis,Peng Jin et al.
Abdus Samad et al.
Vacuolar protein sorting 4 (VPS4) is an AAA-ATPase that mediates ESCRT-III disassembly critical for membrane remodeling events like autophagosome closure and endolysosomal repair. Aberrant expression of VPS4 is associated with cancer progre...
Computational identification of Cucurbitacin S and Kammogenin as bioactive focal adhesion kinase 2 inhibitors for targeted cancer therapy [0.03%]
计算识别瓜尔酸S和卡莫根作为靶向癌症治疗的活性粘着斑激酶2抑制剂
Salem Hussain Alharethi,Fatma A M Mohamed,Saleha Y M Alakilli et al.
Salem Hussain Alharethi et al.
Focal adhesion kinase 2 (FAK2) is a non-receptor tyrosine kinase that orchestrates key oncogenic processes, including cell adhesion, migration, proliferation, and survival, and is frequently overexpressed in multiple cancer types. Targeting...
In silico identification of novel alpha/beta hydrolase fold domain-containing protein associated with virulence and antibiotic resistance in Nocardia farcinica (Strain: JJSBBCNF_01) [0.03%]
计算机上鉴定与诺卡氏菌（JJSBBCNF_01 株）毒力和抗生素抗性相关的新型阿尔法/贝塔水解酶折叠结构域含蛋白质
Shaslinah Nathar,Hemavathy Nagarajan,Bhuvaneswari Narthanareeswaran et al.
Shaslinah Nathar et al.
Nocardiosis can lead to disseminated disease and affect various physiological systems, most commonly the skin, lungs, and central nervous system. Nocardia farcinica is unique among other Nocardia species due to its high pathogenicity and an...
Novel oleanolic acid derivatives containing piperazine pyrimidine moieties: design, synthesis, and antimicrobial activity [0.03%]
含哌嗪嘧啶结构的熊果酸衍生物的设计、合成及抗菌活性研究
Fengwei Ma,Qingfang Deng,Yihao Lu et al.
Fengwei Ma et al.
Natural products are main sources of new chemical entities for pesticide discovery and also important modification substrates for activity enhancement. In this study, a series of novel oleanolic acid derivatives containing piperazine pyrimi...
Generating multimillion chemical space based on the Ugi four-center three-component reaction with oxocarboxylic acids [0.03%]
基于氧化羧酸的Ugi四中心三组分反应的数百万化合物空间的生成
Evgen V Govor,Sofia Dymura,Oleksandr Viniichuk et al.
Evgen V Govor et al.
The scope of the Ugi four-center three-component reaction involving 145 oxocarboxylic acids, primary amines, and 220 isonitriles under parallel synthesis conditions was studied. Special attention was paid to the limitations of each starting...
PDT evaluation of gallium based 3G photosensitizers against triple negative breast cancer [0.03%]
基于镓的三代光敏剂治疗三阴性乳腺癌的光动力疗效评估研究
Jaydeepsinh Chavda,Dhiraj Bhatia,Iti Gupta
Jaydeepsinh Chavda
Meso-substituted A2B corrole (C1) and A2B2 porphyrin (P1) having phenylaniline derivatives were developed. Their metal complexes with Gallium(III) were prepared and studied for anti-cancer applications in photo-dynamic therapy (PDT). Ga(III...