In silico Screening of Plectranthus amboinicus and Hyptis suaveolens Phyto-chemicals: Novel Repellents Targeting Odorant Binding Proteins of Aedes aegypti and Aedes albopictus

Abstract

Background and Aim: Mosquitoes significantly threaten public health, transmitting dangerous diseases to humans and animals. Conventional insecticide spraying, while common, has limitations in effectively controlling vector-borne diseases. Many chemical pesticides harm humans and animals, and some persist in the environment and cause toxic effects. Recently, there has been renewed interest in plant-based products due to concerns about insecticide re-sistance, cross-resistance, potential toxicity associated with synthetic options, and rising costs. Therefore, this study aimed to screen the Plectranthus amboinicus and Hyptis suaveolens phy-tochemicals targeting the odorant binding proteins (OBPs) of Aedes aegypti and Aedes albopic-tus. Methods: In this study, we conducted molecular docking analyses using specific plant-derived compounds from H. suaveolens and P. amboinicus. Results: We focused on the interaction of these compounds with OBPs from dengue and chikungunya vectors (Aedes aegypti and Aedes albopictus). The selected phytochemical com-pounds exhibited strong binding with the OBP of both Ae. aegypti and Ae. albopictus. Tetrahy-drofuran-2-carboxylic acid, Carvacryl acetate, and Brallobarbital showed high binding affinity and significant interaction with Ae. aegypti. Tetrahydrofuran-2-carboxylic acid and 3-Methyl-4-isopropylphenol also demonstrated substantial binding affinity and effective interaction with Ae. albopictus OBP. Conclusion: These findings suggest that the identified compounds can potentially disrupt the attraction of mosquitoes to humans, thus reducing human-vector contact. They may offer a promising alternative for developing natural and efficient mosquito repellents, surpassing cur-rently used synthetic options like N, N-diethyl-meta-toluamide, and other conventional repel-lents.