WebApr 13, 2024 · Lead optimization that aims at modifying ligands through chemical and computational approaches to obtain drug-like leads that may have acceptable ADMET properties is a promising technique in the field of drug discovery and development. Among these approaches, scaffold hopping is an important strategy for fulfilling this aim. WebThe general goal of drug discovery is to identify novel compounds that are active against a preselected biological target with acceptable pharmacological properties defined by …

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WebApr 13, 2024 · Publicly available kinase inhibitors provide a large source of information for structure–activity relationship analysis and kinase drug design. In this study, publicly available inhibitors of the human kinome were collected and analog series formed by kinase inhibitors systematically identified. Then, alternative scaffold concepts were applied to … WebFeb 23, 2024 · Scaffold hopping refers to the computer-aided search for active compounds containing different core structures, which is a topic of high interest in medicinal … purpose of reflection in learning

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WebClassification of Scaffold Hopping Approaches According to the definition of scaffold hopping, derivatives obtained from the parent compounds have novel core structures. The question is how different the derivative molecules must be from their parents in order for the evolution to be classified as scaffold hopping. WebAug 16, 2011 · In cheminformatics, scaffold-based approaches can be applied for the analysis of high-throughput screening (HTS) data [6][7][8][9][10], mapping and visualising … WebDec 1, 2010 · Classification of scaffold-hopping approaches. Hongmao Sun, G. Tawa, A. Wallqvist; Biology. Drug discovery today. 2012; 230. PDF. ... in 1991 as a purely structure-based method to suggest ligands for synthesis and was later augmented by ligand-based approaches, while scaffold hopping has evolved into a rapidly expanding suite … security gates for sliding doors