engleski

In silico ADME PROFILING OF IBD DRUGS AND NUTRIENTS

Crohn's disease and ulcerative colitis are two major forms of chronic inflammatory bowel disease. There are several therapies available for treatment, depending on the stage of disease and side effects. Inflammatory bowel diseases are characterized by unpredictable course, with periods of flare-ups and remissions suggesting poor adherence to medical therapy. Therefore, adherence is one of the most common reasons of failure in the treatment of inflammatory bowel diseases. To improve patient's adherence to their prescribed treatment, new fixed-dose combinations of IBD drugs and nutrient folic acid is proposed. Our previous findings have shown that frontloading of in silico ADME profiling of new fixed-dose combinations allows for a better understanding of the efficacy‐ exposure relationship and dose prediction. In this research we have performed in silico ADME profiling of the most frequently used drugs for IBD treatment and folic acid. 15 on-line available computer platforms based on various theoretical approaches were used: ACDLabs, admetSAR, ALOGPS, AquaSol, ChemExper, Chemicalize, MlogP, Molinspiration, Molsoft, Mcule – Property calculator, pkCSM, preADMET, SILICOS-IT, SwissADME and XlogP. According to obtained data folic acid can be used in fixed- dose combinations with azathioprine, 6- mercaptopurine, 6-thioguanine, mesalazine and sulfasalazine, and further preformulation studies will be done.

In silico, ADME, IBD

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