Exploring Moringa‐Derived Phytosterol From East Nusa Tenggara, Indonesia, as Antialopecia Agent: 5 α ‐Reductase Inhibition and Topical Tonic for Sustainable Health Innovation and Development

Alopecia is a continuous hair loss of more than 125 strands per day, with a prevalence of 70% in men and 30% in women in Indonesia. This condition can be attributed to hormonal factors (androgens). Meanwhile, moringa ( Moringa oleifera Lamk.) seed oil from East Nusa Tenggara (ENT) Province, Indonesia, contains steroids, fatty acids, and tocopherols. These compounds have demonstrated antiseborrheic activity against Malassezia furfur and antialopecia activity in rabbits induced by dihydrotestosterone (DHT). Therefore, this study aimed to characterize moringa oil, isolate and identify phytosterol compounds, and predict antialopecia activity against 5 α ‐reductase (PDB ID: 7BW1), ADME‐Tox prediction, and to supplement this with the formulation and evaluation of Moringa oleifera seed oil (MOSO) hair tonic. Oil parameters were tested using the method described in the Indonesian Pharmacopeia. Isolation began with liquid–liquid extraction, followed by vacuum liquid chromatography, high‐performance liquid chromatography, recrystallization, and identification of the isolates using gas chromatography–mass spectroscopy (GC–MS). Molecular docking was performed on the identified compounds against 5 α ‐reductase, which plays a role in alopecia. In addition, these compounds predicted pharmacokinetic and toxicity properties with pkCSM and ProTox. MOSO was formulated into a hair tonic with varying ethanol and menthol concentrations and then evaluated after six freeze–thaw cycles using organoleptic observations, pH, viscosity, and β ‐sitosterol content. Acute dermal irritation and contamination tests were performed on the best formula. The results showed that MOSO from ENT met the oil quality standards set by the Indonesian Pharmacopeia. The compounds 3‐ethoxy‐(3‐ β , 5‐ α ) cholestane (A), β ‐sitosterol (B), stigmasta‐3,5‐diene (C), and stigmastanol (D) were putatively identified using GC–MS. These compounds have the potential to be 5 α ‐reductase inhibitors using an in silico approach to treat alopecia and meet ADME‐Tox for topical administration. The 10% ethanol and 0.25% menthol formula was the best hair tonic, based on stability of organoleptic properties, pH, viscosity, and β ‐sitosterol content. This formula did not cause erythema or edema and was free from microbial contamination. Therefore, this study contributes to the development of safe natural antialopecia candidate (SDG 3), integrating phytochemical characterization by computation (SDG 9) and promoting the sustainable utilization of moringa as bioresources for value‐added health products (SDG 12).