NAV

P-glycoprotein substrate ADMET Feature Prediction

Synonyms:

  • ABCB1 substrate
  • MDR1 substrate
  • p-glycoprotein substrate
  • p-gp substrate

A p-glycoprotein substrate is a substance that uses the P-glycoprotein transporter for various activities, including drug absorption, drug excretion, and other important activities which can lead to changes in the body or changes in the effects of other drugs on the body 1,2. P-glycoprotein (ABCB1) is one of the most widely studied transporters involved in drug resistance and drug-drug interactions. P-glycoprotein is expressed in many organs such as the small intestine, blood-brain barrier, kidney, and liver 2.

DrugBank automatically retrieves information from admetSAR database, using a table format to display various predicted properties of a drug. This database predicts the absorption, distribution, metabolism, excretion, and toxicity of drugs (ADMET) 3. Part of the predicted ADMET features table includes the identification of predicted p-glycoprotein substrates or non-substrates. Drugs may be classified as "substrates" or "non-substrates" of p-glycoprotein. For example, under the Acetaminophen drug entry under the "Predicted ADMET features" section, the admetSAR information is displayed in a table which describes that it is a "non-substrate" of p-glycoprotein with a probability of 0.8202. This means that admetSAR has predicted that Acetaminophen is not a substrate of this transporter, with an approximately 82% probability of being correct in this prediction, based on admetSAR criteria 3

References:

  1. Lin JH, Yamazaki M: Role of P-glycoprotein in pharmacokinetics: clinical implications. Clin Pharmacokinet. 2003;42(1):59-98. doi: 10.2165/00003088-200342010-00003. [PubMed:12489979]
  2. Glaeser H: Importance of P-glycoprotein for drug-drug interactions. Handb Exp Pharmacol. 2011;(201):285-97. doi: 10.1007/978-3-642-14541-4_7. [PubMed:21103973]
  3. Cheng F, Li W, Zhou Y, Shen J, Wu Z, Liu G, Lee PW, Tang Y: admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties. J Chem Inf Model. 2012 Nov 26;52(11):3099-105. doi: 10.1021/ci300367a. Epub 2012 Nov 1. [PubMed:23092397]