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Updated: Aug 13, 2026

Pharmacologic Induction of Epidermal Melanin and Protection Against Sunburn in a Humanized Mouse Model
Published on: September 7, 2013
Calculation of drug-melanin binding energy using molecular modeling
P R Raghavan1, P A Zane, S L Tripp
1Preclinical Drug Metabolism, Ciba-Geigy Corp., Ardsley, New York 10502.
Abstract:
Conformational analysis and molecular graphics are used to model a representative melanin structure to estimate a chemical's in vitro affinity for melanin. The modelling data fit to a simple linear equation relative to a logarithmic transformation of the experimentally-derived binding data (r = 0.901). The goodness of fit, as evidenced by the F-statistic, F (1,14) = 60.09 (p = 0.000002), for the regression indicates that this technique gives an accurate representation of the interaction of these chemicals with melanin in vitro.
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