Pyridine-2,6-dicarboxylic acid derivatives of potential antileishmanial activity: synthesis, biological evaluation, and in-silico studies [0.03%]
两种潜在的抗利什曼病活性的吡啶-2,6-二甲酸衍生物：合成，生物学评价和计算机模拟研究
Husain Saqer,Ahmed Abd El-Fattah,Adnan A Bekhit
Husain Saqer
Leishmaniasis is a parasitic disease caused by Leishmania species, transmitted by infected sandflies. It remains a major health challenge in tropical and subtropical regions, with high morbidity and mortality. Current treatments, such as mi...
Relationship between chemical structure and growth-inhibitory activity of monoterpenoids against pneumonia causing bacteria in vapor phase [0.03%]
单萜类化合物的化学结构与其蒸汽状态下抑制肺炎致病菌生长的活性之间的关系
Julia Werle,Anna Mascellani Bergo,Marketa Houdkova et al.
Julia Werle et al.
Volatile monoterpenoids represent promising candidates for inhalation-based therapies of respiratory infections due to their volatility and antimicrobial properties. Using the broth microdilution volatilization method, this study assessed t...
Discovery of novel SSRIs for a combination-treatment with pimavanserin [0.03%]
新型SSRI的发现用于与匹美 vanserin联合治疗
Annika Kers,Bálint Gabos,Sanjay Borhade et al.
Annika Kers et al.
A growing body of evidence indicates that inadequate symptom-relief from medical treatment with SSRIs may be enhanced by concomitant blockade of 5-HT2A. In a discovery program directed towards finding novel SSRIs suitable for combining with...
Gisele Strieder Philippsen,Lucas Yudai Nozaki,Michael Jackson Vieira da Silva et al.
Gisele Strieder Philippsen et al.
The pandemic caused by the SARS-CoV-2 virus established the urgency in the development of vaccines and specific antivirals. Currently, vaccines and one specific medicine (Paxlovid) are available. Despite this, the research for therapeutic r...
Further development of cinnamodial analogues as mosquito (Aedes aegypti) toxicants for vector control [0.03%]
作为媒介控制的蚊虫(Aedes aegypti)毒剂的肉桂酰类类似物的进一步开发
Kishore Kumar Palli,Tae Lee,Xiaolin Cheng et al.
Kishore Kumar Palli et al.
Aedes aegypti mosquitoes are vectors of deadly arboviruses such as dengue, yellow fever, chikungunya, and Zika which kill millions worldwide. Prior research by our group discovered a drimane-type sesquiterpene cinnamodial (CDIAL, 1), which ...
Investigating substituted phenylacetamide ligands in the D4R extended binding pocket [0.03%]
研究D4受体扩增结合位点的取代苯乙胺配体
Tian Li,Mohammad Alkhatib,Peter A Ramdhan et al.
Tian Li et al.
Preclinical studies indicate that selective targeting of D4R may improve behavioral and cognitive outcomes in animal models relevant to cognitive disorders, like ADHD and Alzheimer's disease, and substance use disorders (SUDs). In this stud...
Biosynthesis of the africane-type sesquiterpenoid ophioceric acid involves a cytochrome P450 mediated enone formation [0.03%]
非洲类塞克辛诺伊德奥菲欧酸的生物合成涉及细胞色素P450介导的烯酮形成
Cheng Shen,Man-Cheng Tang
Cheng Shen
Ophioceric acid (1) is a representative member of africane-type sesquiterpenoids featured with a 5/7/3 tricyclic skeleton. Guided by retrobiosynthesis, we mined the biosynthetic gene cluster of 1 from the fungus Trichoderma harzianum. Based...
AI-assisted transformation of PD-L1 inhibitory peptides into small molecules using amino acid mapping descriptor and activity improvement through structure-based drug design [0.03%]
基于人工智能的PD-L1抑制肽向小分子转化及基于结构的药物设计优化其活性
Shino Ohira,Issei Doi,Jun Nakabayashi et al.
Shino Ohira et al.
We present a novel strategy for the conversion of macrocyclic peptides into small molecules to identify potent and membrane-permeable protein-protein interaction (PPI) inhibitors. Our approach utilizes amino acid mapping (AAM) descriptors i...
Design, synthesis, and radioprotection activity evaluation of 1H-1,2,3-triazole derivatives as TLR2/1 small molecule agonists [0.03%]
作为TLR2/1小分子激动剂的1H-1,2,3-三唑衍生物的设计、合成及辐射防护活性评价
Hao Wang,Xinru Liu,Wenteng Zheng et al.
Hao Wang et al.
Toll-like receptors (TLRs), a family of pattern recognition receptors of the innate immune system, have been shown to exert radioprotective effects by activating the NF-κB signaling pathway. In this context, we designed and synthesized a s...
Synthesis and biological evaluation of novel pyridone derivatives containing 1,3,4-thiadiazol as potential anticancer agents [0.03%]
一类含1,3,4-噻二唑基吡啶酮衍生物的合成及其体外抗肿瘤活性研究
Zhiqiang Long,Yizheng Li,Renzhi Liu et al.
Zhiqiang Long et al.
A series of novel 5,6-disubstituted pyridone derivatives containing 1,3,4-thiadiazol (3a-3p) were synthesized starting from 2,3-dihydroxypyridine via oxidation-Michael additions, condensations and cyclizations. The anticancer activity of th...