Collection of analog series-based scaffolds from public compound sources
نویسندگان
چکیده
منابع مشابه
Highly Stereoselective Synthesis of a Compound Collection Based on the Bicyclic Scaffolds of Natural Products.
Despite the great contribution of natural products in the history of successful drug discovery, there are significant limitations that persuade the pharmaceutical industry to evade natural products in drug discovery research. The extreme scarcity as well as structural complexity of natural products renders their practical synthetic access and further modifications extremely challenging. Althoug...
متن کاملComputational design of new molecular scaffolds for medicinal chemistry, part II: generalization of analog series-based scaffolds
Aim Extending and generalizing the computational concept of analog series-based (ASB) scaffolds. Materials & methods Methodological modifications were introduced to further increase the coverage of analog series (ASs) and compounds by ASB scaffolds. From bioactive compounds, ASs were systematically extracted and second-generation ASB scaffolds isolated. Results More than 20,000 second-gener...
متن کاملAnalog series-based scaffolds: computational design and exploration of a new type of molecular scaffolds for medicinal chemistry
AIM Computational design of and systematic search for a new type of molecular scaffolds termed analog series-based scaffolds. MATERIALS & METHODS From currently available bioactive compounds, analog series were systematically extracted, key compounds identified and new scaffolds isolated from them. RESULTS Using our computational approach, more than 12,000 scaffolds were extracted from bioa...
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ژورنال
عنوان ژورنال: Future Science OA
سال: 2018
ISSN: 2056-5623
DOI: 10.4155/fsoa-2017-0135