Ayur-informatics: Establishing an in-silico-ayurvedic remedy for harlequin ichthyosis

Harlequin ichthyosis is a severe genetic disorder that mainly affects the skin. Mutations in the ABCA12 gene cause harlequin ichthyosis. A loss of functional ABCA12 protein disrupts the normal development of the epidermis, resulting in the hard, thick scales characteristic of harlequin ichthyosis. This condition is inherited as an autosomal recessive pattern. It is found that retinoids can be used in the treatment of inflammatory skin disorders including Harlequin ichthyosis by binding to Retinoic Acid Receptors (RAR). The protein sequence of RAR was taken from NCBI database (protein id CAB60726). The 3d (^*.pdb) structure of RAR protein was generated by homology modeling. Guggul (Commiphora weghtii), Turmeric (Curcuma longa) & Sandalwood (Santakim album) are amongst the most renowned herbs in Ayurvedic herbal supplement having anti-inflammatory proterty and was widely used in ancient India to treat several disorders. Guggulsterone, β-santalol and curcumin are the active component of Guggul, sandalwood and turmeric respectively. 3d (^*.pdb) structures of Z-Guggulsterone, β-santalol & curcumin were generated. The compounds in individual were found to dock with RAR protein hence proving that that the herbs (guggul, sandalwood & turmeric) can be used in the treatment of Harlequin ichthyosis.