کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10885684 1079897 2016 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A new paradigm for navigating compound property related drug attrition
ترجمه فارسی عنوان
یک پارادایم جدید برای رفع خستگی مواد مخدر مربوط به مواد مخدر است
موضوعات مرتبط
علوم زیستی و بیوفناوری بیوشیمی، ژنتیک و زیست شناسی مولکولی بیوتکنولوژی یا زیست‌فناوری
چکیده انگلیسی
Improving the efficiency of drug discovery remains a major focus for the pharmaceutical industry. Toxicity accounts for 90% of withdrawals and major early-stage terminations relate to suboptimal efficacy and safety. Traditional oral drug space is well defined with respect to physicochemical properties and ADMET risks but increased focus on ligand-lipophilicity efficiency, maximizing enthalpy contributions and new target classes challenge this paradigm. A hybrid space has been identified that combines physical properties and key interactions attributable to drug transporters. A novel algorithm is proposed that incorporates drug-transporter interactions and its utility evaluated against popular ligand efficiency indices. Simply reducing the bulk properties of compounds can exchange one problem for another and creates high-risk areas that challenge the successful delivery from a balanced portfolio.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Drug Discovery Today - Volume 21, Issue 1, January 2016, Pages 72-81
نویسندگان
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