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All Journal Green and Tropical Laboratory for Sustainability
Moh. Mirza Nuryady
Institute of Parasitology, Biological Science and Pathobiology Department, Veterinary Medicine University of Vienna, Austria
Agriculture, Biological Sciences & Forestry Chemical Engineering, Chemistry & Bioengineering Decision Sciences, Operations Research & Management Environmental Science Social Sciences

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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; Moh. Mirza Nuryady
Green and Tropical Laboratory for Sustainability Vol. 2 No. 1 (2025): August
Publisher : Universitas Muhammadiyah Malang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22219/gtlabs.v2i1.38845

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.
In silico test of cytotoxic activity and toxicity of bioactive compounds of Aloe vera extract as a candidate drug for diabetes mellitus Eva Ayuntya; Moh. Mirza Nuryady
Green and Tropical Laboratory for Sustainability Vol. 2 No. 1 (2025): August
Publisher : Universitas Muhammadiyah Malang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22219/gtlabs.v2i1.38873

Abstract

Background: Diabetes mellitus is a disease characterized by hyperglycemia and metabolic disorders associated with absolute or relative deficiency in insulin action and/or secretion. Aloe vera contains several compounds with antihyperglycemic effects, and Aloe vera can mimic insulin and lower blood glucose levels. Objectives: The aim of this research is to determine the predicted physicochemical properties, toxicity and mechanisms of active compounds in Aloe vera. Methods: The method used is a computer-based experimental Molecular Docking, by predicting physicochemical, toxicity tests, bioactivity tests, protein and ligand preparation, score analysis, validation of molecular docking results, and 3D molecular visualization analysis by comparing three active Aloe vera compounds with the target protein GLP-1. Results: In silico results showed that sinapic acid, catechin, and quercitrin have good physicochemical, pharmacokinetic, and toxicity properties. In silico testing of the active Aloe vera compounds showed binding values of less than 10 with the same amino acid residues in the catechin and quercitrin compounds that bind to the active site of the GLP-1 protein. Conclusion: The active compounds contained in Aloe vera, sinapic acid, catechin, and quercitrin, can be predicted to be used as candidates for diabetes medication.
Co-Authors Aisha Azaria Nisa’ul Khoiro Eva Ayuntya