Predicting Arrhythmogenicity: Structural Modeling of Safe and Unsafe hERG Blockers
نویسندگان
چکیده
منابع مشابه
Predictive in silico modeling for hERG channel blockers.
hERG-mediated sudden death as a side effect of non-antiarrhythmic drugs has been receiving increased regulatory attention. Perhaps owing to the unique shape of the ligand-binding site and its hydrophobic character, the hERG channel has been shown to interact with pharmaceuticals of widely varying structure. Several in silico approaches have attempted to predict hERG channel blockade. Some of th...
متن کاملArtificial sweeteners: safe or unsafe?
Artificial sweeteners or intense sweeteners are sugar substitutes that are used as an alternative to table sugar. They are many times sweeter than natural sugar and as they contain no calories, they may be used to control weight and obesity. Extensive scientific research has demonstrated the safety of the six low-calorie sweeteners currently approved for use in foods in the U.S. and Europe (ste...
متن کاملEmergency Ascent Training: Safe or Unsafe
There has been an increasing demand on the part of scuba diving instructors and other diving authorities for a re-evaluation of emergency ascent procedures. Many diving medical authorities challenge the inclusion of open water free ascent or emergency controlled swimming ascent training in basic and advanced sport diving courses. In essence, they feel that-the potential risk of lung barotrauma ...
متن کاملA k-nearest neighbor classification of hERG K+ channel blockers
A series of 172 molecular structures that block the hERG K(+) channel were used to develop a classification model where, initially, eight types of PaDEL fingerprints were used for k-nearest neighbor model development. A consensus model constructed using Extended-CDK, PubChem and Substructure count fingerprint-based models was found to be a robust predictor of hERG activity. This consensus model...
متن کاملSociotechnical attributes of safe and unsafe work systems
UNLABELLED Theoretical and practical approaches to safety based on sociotechnical systems principles place heavy emphasis on the intersections between social-organisational and technical-work process factors. Within this perspective, work system design emphasises factors such as the joint optimisation of social and technical processes, a focus on reliable human-system performance and safety met...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2020
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2019.11.779