Green and Tropical Laboratory for Sustainability
Vol. 2 No. 1 (2025): August

In silico test of cytotoxic activity and toxicity of guava leaf compounds (Psidium guajava) as a drug for diabetes mellitus

Aisha Azaria Nisa’ul Khoiro (Department of Biology Education, Faculty of Teacher and Training Education, Universitas Muhammadiyah Malang, Indonesia)
Moh. Mirza Nuryady (Institute of Parasitology, Biological Science and Pathobiology Department, Veterinary Medicine University of Vienna, Austria)



Article Info

Publish Date
19 Aug 2025

Abstract

Background: Diabetes mellitus is a metabolic disorder caused by a lack of the hormone insulin. Diabetes mellitus is characterized by elevated blood glucose levels due to the inactivity of the GLP-1 protein, which leads to decreased insulin function. Guava leaves (Psidium guajava) are suspected to have antidiabetic effects, but the active compound responsible for lowering blood glucose levels is unknown. Objectives: The aim of this study was to determine the physicochemical properties and toxicity as well as the mechanism of active compounds of guava leaves using In Silico studies. Methods: The method in this research is a computer-based experiment in the form of Molecular docking, by comparing the active compounds in guava leaves with the target protein GLP-1. Results: The results of the In Silico test show that the Caryophyllene and Cadala compounds have binding affinities of -7.8 and -6.9 and the toxicity class for caryophyllene is class 6, which indicates that the compound is not toxic, while for cadala the toxicity class is included in class 5, which indicates that it may be harmful if swallowed. Conclusion: The compounds Cadala and Caryophyllene demonstrated that further testing is warranted to determine the proportions required to maintain their safety. Meanwhile, benzene was not considered a drug candidate because its carcinogenicity was shown to be active in toxicity tests, suggesting it cannot be used as a drug candidate for diabetes mellitus.

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Journal Info

Abbrev

gtlabs

Publisher

Subject

Agriculture, Biological Sciences & Forestry Chemical Engineering, Chemistry & Bioengineering Decision Sciences, Operations Research & Management Environmental Science Social Sciences

Description

Green And Tropical Laboratory For Sustainability encompasses a broad range of research areas related to the Sustainable Development Goals (SDGs), including but not limited to: Laboratory-Based Studies on Tropical Ecosystems: Research on biodiversity, climate change, ecosystem restoration, and ...