کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
2080529 1545177 2009 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
‘Metabolite-likeness’ as a criterion in the design and selection of pharmaceutical drug libraries
موضوعات مرتبط
علوم زیستی و بیوفناوری بیوشیمی، ژنتیک و زیست شناسی مولکولی بیوتکنولوژی یا زیست‌فناوری
پیش نمایش صفحه اول مقاله
‘Metabolite-likeness’ as a criterion in the design and selection of pharmaceutical drug libraries
چکیده انگلیسی

Present drug screening libraries are constrained by biophysical properties that predict desirable pharmacokinetics and structural descriptors of ‘drug-likeness’ or ‘lead-likeness’. Recent surveys, however, indicate that to enter cells most drugs require solute carriers that normally transport the naturally occurring intermediary metabolites and many drugs are likely to interact similarly. The existence of increasingly comprehensive summaries of the human metabolome allows the assessment of the concept of ‘metabolite-likeness’. We compare the similarity of known drugs and library compounds to naturally occurring metabolites (endogenites) using relevant cheminformatics molecular descriptor spaces in which known drugs are more akin to such endogenites than are most library compounds.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Drug Discovery Today - Volume 14, Issues 1–2, January 2009, Pages 31–40
نویسندگان
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