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

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

Volume: 22

Author(s): Thomas Jebastin, Jeyaraj John Wilson*, Natarajan Sisubalan, Dharmarajan Raja Sudhakar, Bhagavathi Sundaram Sivamaruthi, Mohamed Husain Syed Abuthakir, Subramanian Sevarkodiyone and Chaiyavat Chaiyasut*

Affiliation:

• Department of Microbiology, Ayya Nadar Janaki Ammal College (Autonomous), Sivakasi, 626124, Tamil Nadu, India

• Innovation Center for Holistic Health, Nutraceuticals, and Cosmeceuticals, Faculty of Pharmacy, Chiang Mai University, Chiang Mai, 50200, Thailand

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.

Cite this article as:

Jebastin Thomas, Wilson John Jeyaraj*, Sisubalan Natarajan, Sudhakar Raja Dharmarajan, Sivamaruthi Sundaram Bhagavathi, Abuthakir Syed Mohamed Husain, Sevarkodiyone Subramanian and Chaiyasut Chaiyavat*, In silico Screening of Plectranthus amboinicus and Hyptis suaveolens Phyto-chemicals: Novel Repellents Targeting Odorant Binding Proteins of Aedes aegypti and Aedes albopictus, Anti-Infective Agents 2024; 22 () : e080724231716 . https://dx.doi.org/10.2174/0122113525306071240613043139