Kousaku Ohkawa,Hemdeep Kaur,Tracy Nguyen et al.
Kousaku Ohkawa et al.
3,5-Bis(acetamido)-2,4,6-triiodobenzoic acid, aka diatrizoic acid (DTZOH), is a major compound for the radiopaque material research. Iodine elements at the 2,4,6-positions are the origin of the radiopacity, but the bulkiness of iodine frequ...
Assessing the impact of data harmonization on human liver microsomal stability prediction model performance [0.03%]
评估数据规范化对人类肝脏微粒体稳定性预测模型性能的影响
Claire Weber,Xin Xu,Pranav Shah
Claire Weber
Metabolic stability, often assessed using human liver microsomes (HLM), is a key determinant of drug clearance and pharmacokinetics (PK), yet experimental evaluation of the vast chemical space is resource intensive. Machine learning-based q...
Identification of quinolinyl-containing dual soluble epoxide hydrolase/fatty acid amide hydrolase inhibitors with moderate potency towards acetylcholinesterase [0.03%]
含喹啉类可溶性环氧合酶/脂肪酸酰胺水解酶双靶点且对乙酰胆碱酯酶具有微弱活性的化合物识别
Michael Gonzalez,Ryan West,Amanda Tsang et al.
Michael Gonzalez et al.
Using a polypharmacological approach, we designed two different quinolinyl libraries by merging the pharmacophores of three targeted enzymes, fatty acid amide hydrolase (FAAH), soluble epoxide hydrolase (sEH), and acetylcholinesterase (AChE...
Pre-formulation development of highly potent nontuberculous mycobacterial agents [0.03%]
高活性非结核分枝杆菌制剂的药物研发前阶段开发
Satish G Agrawal,E Jeffrey North,Alekha K Dash
Satish G Agrawal
Nontuberculous mycobacteria (NTM) are pathogens that particularly infect patients with structural lung diseases, such as chronic obstructive pulmonary disease or cystic fibrosis. Several novel indole-2-carboxamides (ICs) that were synthesiz...
Thermal shift engagement assay for Class IIA histone deacetylase inhibitor screening [0.03%]
一类组蛋白去乙酰化酶抑制剂筛选的热移位 engagement 试验
Lauren N Kotsull,Mary Kay H Pflum
Lauren N Kotsull
Histone deacetylase (HDAC) proteins are the targets of several anti-cancer clinical drugs, which motivates future inhibitor development. Class IIA HDAC proteins, HDAC4, HDAC5, HDAC7, and HDAC9, are pseudodeacetylases that lack a key catalyt...
Convenient synthesis and in vitro activity of oxalyl bis(benzenesulfonylhydrazides) and related compounds [0.03%]
草酸双(苯磺酰腙)及同类化合物的合成及其体外活性评价
Jozef Stec,Shang Xie,Lena Alshukri et al.
Jozef Stec et al.
Symmetrical oxalyl bis(benzenesulfonylhydrazides) [ObBSH] were conveniently prepared by reacting various sulfonyl hydrazides with oxalyl chloride in refluxing tetrahydrofuran (or toluene). The crude products were obtained practically as vir...
Dynamics understanding of novel solvated drug molecules against emerging Burkholderia Cepacia infections in immunocompromised patients [0.03%]
免疫低下患者中新出现的Burkholderia Cepacia感染中溶剂化药物分子的动力学研究
Sajjad Ahmad,Faisal Ahmad,Syed Ainul Abideen et al.
Sajjad Ahmad et al.
The Burkholderia cepacia is a Gram-negative bacterium associated with serious infections, especially in immune compromised patients. Recent studies have shown B. cepacia to be involved in bloodstream infection in oncology patients. As the b...
New structural scaffolds to enhance the metabolic stability of arginine-derived PAD4 inhibitors [0.03%]
用于增强鸟氨酸衍生物PAD4抑制剂代谢稳定性的新型结构支架
Yijiang Jia,Sina Bahraminejad,Chenyao Jiang et al.
Yijiang Jia et al.
Although arginine-derived PAD inhibitors represented by Cl-amidine (2) showed strong inhibition of PAD4 enzymes and exhibited efficacies in a variety of cellular assays and animal studies, their metabolic instability is a significant challe...
Structure activity relationships of antischistosomal N-phenylbenzamides by incorporation of electron-withdrawing functionalities [0.03%]
通过引入吸电子基团的抗血吸虫N-苯基苯甲酰胺的构效关系研究
Ameera Mohammed Dawoodjee,John Sichinga,Harrison Banda et al.
Ameera Mohammed Dawoodjee et al.
For the adult Schistosoma mansoni flatworm pathogen, we report further structure activity relationships (SAR) of 19 N-phenylbenzamide analogs. Our previous SAR studies, designed by selecting representative substituents from the Craig plot, ...
Natural antifibrosis potential of anthocyanin in Ipomoea batatas against Transforming Growth Factor beta Type II receptor by in silico ADMET and molecular docking study [0.03%]
紫薯花青素的抗纤维化潜能通过ADMET和分子对接研究针对转化生长因子II型受体的研究
Evi Lusiana,Ernawati Sinaga,Zen Hafy et al.
Evi Lusiana et al.
Purple sweet potato (Ipomoea batatas) are known to have bioactive anthocyanin compounds with numerous human therapeutic benefits. Anthocyanins derived from I. batatas can suppress the action of Transforming Growth Factor beta Type II Recept...