IFPTML Multi-Output Model for Anti-Retroviral Compounds Including the Drug Structure and Target Protein Sequence Information [0.03%]
包含药物结构和目标蛋白序列信息的抗逆转录病毒化合物IFPTML多输出模型
Emilia Vásquez-Domínguez,Shan He,Carlos Santolaria et al.
Emilia Vásquez-Domínguez et al.
Retroviruses such as HIV cause significant diseases in humans and other organisms, making the discovery of antiretroviral (ARV) drugs a critical priority. While databases like ChEMBL contain valuable information, their complexity poses chal...
Anthony C ODonnell,James M Berger
Anthony C ODonnell
Topoisomerases are enzymes responsible for recognizing and resolving superhelical crossings and topological tangles in DNA. Topoisomerases also serve as valuable established targets for numerous clinically used antibacterial and antitumor a...
Recent progress and structural insights of potential Hsp90 inhibitors as anticancer agents [0.03%]
潜在的Hsp90抑制剂作为抗癌药物的近期进展和结构见解
Aastha Singh,Subhadip Maity,Priya Devi et al.
Aastha Singh et al.
Hsp90, or heat shock protein 90, a well-preserved molecular chaperone that is essential for the coordination of numerous biological pathways and cellular processes. Hsp90 is a molecular chaperone, which promises a target for cancer treatmen...
Haitao Yang,Lu Zhang,Quan Wang et al.
Haitao Yang et al.
In this Voices article, we introduce seven group leaders from the Anti-TB Structure Center (ATSC) in Shanghai, which was opened in 2020. The scientists at ATSC closely collaborate with the goal of identifying new drug targets and developing...
Yongxiang Zhao,Pietro Vidossich,Biff Forbush et al.
Yongxiang Zhao et al.
Na+-K+-Cl- cotransporters functions as an anion importers, regulating trans-epithelial chloride secretion, cell volume, and renal salt reabsorption. Loop diuretics, including furosemide, bumetanide, and torsemide, antagonize both NKCC1 and ...
Luis Menéndez-Arias,Federico Gago
Luis Menéndez-Arias
During the last forty years, significant progress has been made in the development of novel antiviral drugs, mainly crystallizing in the establishment of potent antiretroviral therapies and the approval of drugs eradicating hepatitis C viru...
Arterial effects of anthracycline: structural & inflammatory assessments in non-human primates and lymphoma patients [0.03%]
蒽环类药物的动脉效应:非人灵长类动物和淋巴瘤患者的结构与炎症评估
Stephen Rankin,Caitlin Fountain,Alastair J Gemmell et al.
Stephen Rankin et al.
Anthracyclines, such as doxorubicin, are important anti-cancer therapies but are associated with arterial injury. Histopathological insights have been limited to small animal models and the role of inflammation in the arterial toxic effects...
Surface-Enhanced, Low-Frequency Raman Spectroscopy: A Sensitive Screening Tool for Structural Characterization of Pharmaceuticals [0.03%]
用于药物结构表征的表面增强低频拉曼光谱敏感筛查工具
Ka Rlis Be Rziņš,Ben J Boyd
Ka Rlis Be Rziņš
Surface-enhanced, low-frequency Raman spectroscopy (SELFRS) was explored for its potential as a structural screening tool within pharmaceutical applications, including facile small-scale multicomponent analysis. Paracetamol was used as the ...
Structural Insights and Biological Activities of Furan-Based Drugs in the Treatment of Human Diseases [0.03%]
基于糠基药物治疗人类疾病的结构见解及生物活性研究
Avinash Kumar Mishra,Kuldeep Singh,Sunam Saha et al.
Avinash Kumar Mishra et al.
Neurodegenerative diseases present significant public health challenges, driving the search for innovative therapeutic strategies. This review explores the neuroprotective potential of furan-containing compounds, which are derived from vari...
Thermodynamic and kinetic study of palladium(II) complexation with 1-methyl-2-mercaptoimidazole (methimazole) and their importance for structural design of metallodrugs [0.03%]
1-甲基-2-巯基咪唑(Pd(II))配合物的热力学和动力学研究及其对金属药物结构设计的重要性
Viktorie Širůčková,Přemysl Lubal,Josef Hamacek et al.
Viktorie Širůčková et al.
The acidobasic and complexing properties of 1-methyl-2-mercaptoimidazole (Methimazole, an anti-thyroid drug) were investigated. The pKa 11.49 ± 0.03 was estimated by molecular absorption spectroscopy (I = 0.10 M NaCl, t = 25.0 ± 0.1 °C)....
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