From ayurveda to active molecules: Comparative theoretical insights into herbal ingredients in ancient Indian cosmetics

Abstract

Indian Knowledge Systems (IKS), particularly Ayurveda, contain extensive records of herbal cosmetics that were used for skin and hair care in ancient India. While these practices are historically well-documented, their mechanistic plausibility has not been fully explored through the lens of modern chemistry. This paper applies a comparative theoretical chemistry approach to analyze five representative herbs widely used in Ayurvedic cosmetics - Curcuma longa, Santalum album, Aloe vera, Azadirachta indica, and Hibiscus rosa-sinensis. The methodology integrates extraction of Ayurvedic functional claims and preparation protocols from classical texts, identification of major phytochemical classes and functional groups reported in modern literature, and mapping of these chemical features onto plausible mechanisms relevant to cosmetic outcomes. Ayurvedic classifications (Varnya, Tvachya, Keshya) were extracted from classical texts, and the major phytochemical classes reported in peer-reviewed literature were identified. Functional group analysis and mechanistic mapping revealed strong correlations between traditional cosmetic claims and chemical activities such as antioxidant, antimicrobial, anti-inflammatory, humectant, and astringent effects. The results highlight the empirical sophistication of Ayurvedic knowledge and demonstrate that ancient herbal cosmetic practices are chemically rational. This theoretical framework provides a basis for future experimental validation, standardization of herbal formulations, and integration of traditional cosmetic wisdom into modern cosmetic chemistry, while also promoting sustainability and cultural preservation.