Tinea capitis is local
alopecia caused by a
dermatophyte infection of the scalp. Trichophyton rubrum produces the
squalene epoxidase enzyme, which has a crucial role in prolonged
dermatophyte infection, as well as in synthesizing
fatty acids in this dermatophyte group. This study analyzes Trichophyton cacao compounds as anti-
alopecia by inhibiting the
squalene epoxidase enzyme formation, in silico. The structure of T. cacao compounds was prepared using the MolView Web application. The compound docked to
squalene epoxidase using AutoDock Vina in PyRx 0.8, followed by PyMOL for visualization, and the
Proteins Plus program to analyze the complexity. The binding affinity value of
catechin,
epicatechin (-8.0 kcal/mol), and
anthocyanin (-7.8 kcal/mol) compounds was higher than the positive control (
terbinafine, -6.7 kcal/mol). Pre-ADMET demonstrated that
catechin and
epicatechin had moderate Human Intestinal Absorption (66.71%), but
anthocyanin was very good (100%). Caco-2 parameters for
catechin and
epicatechin were relatively low (<4 nm s - 1), while
anthocyanin,
theobromine, and
terbinafine were within 4-70 nm s - 1.
Plasma protein binding shows
catechin,
epicatechin, and
anthocyanin diffuse through the plasma membrane and interact with
plasma proteins. The toxicity results for all compounds are mutagenic, and only
terbinafine is carcinogenic. Based on the Lipinski's "Rule of Five," compounds from T. Cacao can be given orally.
Catechin and
epicatechin compounds have the potential to act as anti-
alopecia. These two compounds can diffuse and interact with
plasma proteins so they are directly on the target when given orally.