q-Albumin: HSA binding prediction software.

Plasma protein binding strongly influences in vivo efficacy and ADMET profile of the drug. Plasma proteins serve as vehicles for water-insoluble drugs. However excessive binding to plasma proteins cuts down drug efficacy since only the unbound fraction is therapeutically active. Excessive binding to plasma proteins prevents also drug elimination from the body, thus contributing to prolongation of drug effect and its accumulation in the body resulting sometimes in drug toxicity.

Human Serum Albumin (HSA) is the most abundant blood plasma protein and largely determines plasma protein binding for the majority of the drugs. Thus early prediction of compound affinity for HSA is of great interest.

References:

Binding affinity calculation of known drugs to human serum albumin