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  Indian J Med Microbiol
 

Table 2: Physiochemical properties and the predictive bioactivity of embelin against four main intracellular targets; GPCR, ion channels, kinase, protease and nuclear receptors. The physiochemical parameters include ClogP & PSA,. ClogP represents a global measure of the molecules hydrolipophilicity. PSA (polar surface area) is a measure of the surface area where the polarity is high. Furthermore, it is a measure of the sum of fragments contribution in conferring the polarity. On the other hand, the predictive bioactivity parameters include the drug likeliness score which is a measure of the coincidence of each compound with the standard inhibitors of each of GPCR, kinase and protease enzymes and the nuclear receptors as well as to the standard ion channels modulator.

Table 2: Physiochemical properties and the predictive bioactivity of embelin against four main intracellular targets; GPCR, ion channels, kinase, protease and nuclear receptors. The physiochemical parameters include ClogP & PSA,. ClogP represents a global measure of the molecules hydrolipophilicity. PSA (polar surface area) is a measure of the surface area where the polarity is high. Furthermore, it is a measure of the sum of fragments contribution in conferring the polarity. On the other hand, the predictive bioactivity parameters include the drug likeliness score which is a measure of the coincidence of each compound with the standard inhibitors of each of GPCR, kinase and protease enzymes and the nuclear receptors as well as to the standard ion channels modulator.