The development of Cannabis sativa-based cosmetic products is emerging in developed countries.
The most popular compound for this purpose is Cannabidiol as anti-inflammatory and moisturizing
agent. However, World Health Organization and various research studies had reported its adverse
effects. On the other hand, legality issue of Cannabis sativa uses in some countries also emerge.
The aims of this research were to assess the knowledge of university students regarding the
cosmetic and Cannabis sativa-based cosmetics and to determine the alternative compounds from
Cannabis sativa and cannabimimetic compounds. Assessment of knowledge was done through
questionnaire followed by the analysis through Microsoft Excel and SPSS. For computational
method, the crystal complex of CB1 and AM841 (PDB ID:5XR8) was redocked using AutoDock 4.2.
Twenty-four test compounds and four comparison compounds were prepared and optimized using
GaussView 5.0 and Gussian 09W. Docking process of ligands with CB1 Receptor were done using
AutoDock 4.2 with grid box (30x30x30) and coordinate (-45.089, -160.511, 308.674). Potential
compounds with lower binding energy than endocannabinoid, Cannabidiol, and AM-841 were
selected for further analysis. The toxicity prediction was done using Toxtree and ECOSAR. Based on
the result of knowledge assessment, above half of the sample size (265 people) had answered the
questions correctly with correct answers above 50% from total questions. The selection of cosmetic
products without knowing and understanding the composition was high (53%), so respondents
supported the education through leaflets (38%). The popularity of Cannabis sativa-based cosmetic
products was low (4%). Based on the result of computational method, the compounds with low
binding energy and low toxicity especially for skin were Tetrahydrocannabinolic Acid (-10.29
Kcal/mol), Perrottetinene (-10.06 Kcal/mol), and AM-4056 (-11.96 Kcal/mol). However, these
compounds are predicted to contribute to environmental and aquatic toxicity. Thus, further
research on safe concentrations for humans and the environment needed to be done.