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This research article proposes a systematic path for the generation of compounds that inhibit the Ebola virus through a molecular docking study. Ebola virus anchoring occurs in the Niemann Pick C1 (NPC1) protein, which is responsible for transporting cholesterol in the endosome/lysosome system. Molecules that have been experimentally reported as possible virus inhibitors were used to assess a possible competitive inhibition in these molecular systems. Several molecules with affinity energies were taken by the active sites, which allowed to identifying the pharmacokinetic potential of these molecules. Adsorption, distribution, metabolism, and excretion of these molecules were also examined. In conclusion, the results obtained show the great inhibitory potential of the A, B, I, J, and K molecules on the anchoring of the Ebola virus glycoprotein with the Niemann Pick C1 protein. [ABSTRACT FROM AUTHOR]

In the elderly, polymedication is frequent. This increases the risk of adverse reactions to medications, and also the risk of interactions that may be relevant. The most frequent interactions are those that affect the pharmacokinetics of drugs and, especially, their metabolism. Here the cytochrome P450 has a lot of relevance, but for a little more than a decade we know another mechanism involved, the membrane transporter proteins. Within these are the OATP (Organic anion transporting polypeptide) of which there are different types and locations. The competition of different substrates for these proteins can generate interactions that end up having an impact on the pharmacotherapeutic treatment of the patient. [ABSTRACT FROM AUTHOR]