HERMETIA ILLUCENS МАЙЫНЫҢ ҚҰРАМЫНДАҒЫ МАЙ ҚЫШҚЫЛДАРЫН IN SILICO БАҒАЛАУ

Introduction. The larval oil of the black soldier fly (Hermetia illucens L.) represents a non-traditional source of lipid material with a notably high proportion of lauric acid [1]. This distinctive feature makes it a promising candidate for the development of dermatological dosage forms [2]. However, the molecular pharmacokinetic characteristics of this oil in the context of topical preparations remain largely unexplored [2]. Aim of the Study. To evaluate the in silico pharmacokinetic profile of eight major fatty acids from black soldier fly larval oil using the SwissADME platform, and to substantiate the feasibility of their incorporation into a dermatological topical dosage form. Materials and Methods. The study was conducted at the laboratory of the RSE "Center for Sanitary and Epidemiological Expertise" using an oil sample derived from raw material supplied by LLP "EcoRich". The fatty acid profile was determined by gas chromatography. For each fatty acid, the following parameters were calculated the SwissADME platform: molecular weight, logP, TPSA (topological polar surface area), GI absorption (gastrointestinal absorptionability), logKp, P-glycoprotein binding, probability of CYP450 (cytochrome 450) inhibition, compliance with Lipinski's rule, and the PAINS/Brenk profile. Fatty acid percentages come from real chromatographic measurements, whereas MW, logP and TPSA are fixed values that SwissADME derives from molecular structure, so averaging or a standard deviation does not apply to them [4]. Results. Each of the eight fatty acids tested showed high GI absorption. The predicted bioavailability score was 0.85 for each molecule. The TPSA value was identical across all studied molecules at 37.30 Ų, owing to the presence of a single polar carboxyl group. A TPSA value below 60 Ų typically suggests favorable permeation through lipid membranes [5]. The calculated logKp for oleic, linoleic, and linolenic acids was −2.60. According to the Potts–Guy model, the closer this negative value is to zero, the higher the relative passive permeability through the skin. Therefore, the less negative the logKp value, the greater the molecule's ability to penetrate the skin barrier [3]. Discussion. The combined molecular prediction data support the rationale for incorporating Hermetia illucens larval oil as an active lipid component in a dermatological emulgel formulation. The high proportion of lauric acid presents the potential for enhanced antimicrobial activity and improved skin permeability, while the presence of unsaturated fatty acids may exert a beneficial effect on the structural and mechanical properties of the emulsion-gel system. SwissADME was chosen for being open-access and able to return several relevant parameters, including the Potts-Guy-based logKp, in a single run. Its predictions, however, remain estimates and do not capture how the emulgel base or the skin itself will actually behave [3]. Keywords: Hermetia illucens larvae, black soldier fly, in silico analysis, SwissADME, fatty acids, pharmacokinetics, emulgel, lauric acid.