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Simulation of Drug Transport through the Blood Brain Barrier

Central Nervous System (CNS) diseases, including Parkinson's and Alzheimer's, cause high mortality and morbidity due to limited treatment options. One of the greatest challenges in developing drugs that target the brain or the CNS is achieving sufficient Blood-Brain-Barrier (BBB) penetration. Strategies to maximize penetration typically involve chemical/structural modification of the compound or co-administration with other agents to either better diffuse or to be actively transported across the BBB, or to improve the general pharmacokinetics of the compound. This is where in silico simulation becomes indispensible. Simulation enables testing vast arrays of candidate therapeutic agents while varying dosage, administration method ...

Animal PBPK simulation helps to minimize the residues of antibiotics in dairy

Experts warn that the overuse of antibiotics in animal agriculture is contributing to antimicrobial resistance and endangering human health. Agricultural use accounts for nearly 80 percent of the antibiotics sold in the United States, with the vast majority of these antibiotics chosen from classes used to treat infections in people as well.

The U.S. Centers for Disease Control and Prevention (CDC) has estimated that antimicrobial resistance has caused over 2 million illnesses and a minimum of 23 000 deaths in the U.S. In order to prevent the development of antibiotic-resistant strains, it becomes key to understand the distribution ...

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Skin absorption and permeation simulation with Skin-in-silico™

Xemet started the development of Skin-in-Silico™ skin simulation software in 2008 as a response to anticipated EU animal testing bans, which took effect in cosmetics in 2013. Currently the version Skin-in-Silico™ 4.0 is widely used for predicting the absorption and permeation of drugs, skin care products and other chemicals into and through the skin. Last month UK lead the way by further banning animal testing of both finished household products, as well as ingredients primarily intended for use in these products. Thus there is an urgent need for an alternative testing method for household chemicals, or at least for ...