Bioactive Compounds in Garlic (Allium sativum) and Black Garlic as Antigout Agents, Using Computer Simulation

Abstract

Uric acid, which causes gout, is the end product of purine catabolism, synthesized by xanthine oxidase, guanine deaminase, adenine deaminase, purine nucleoside phosphorylase, and 5-nucleotidase II. Garlic contains bioactive compounds that have potential as antigout agents. Garlic fermentation to black garlic changes its components, which may affect its beneficial potential. This study aimed to select types of garlic (Indonesian garlic) and imported garlic, and to predict the interaction between their compounds and five target proteins through an in silico approach and a multivariate analysis, namely partial least squares-discriminant analysis (PLS-DA), to determine their different constituents. The target proteins were collected from open-access databases, and the compounds were identified using mass spectrometry data. The PLS-DA score plot succeeded in classifying the samples into three classes, with each class having a discriminatory compound. Based on the in silico studies, we predicted the best binding score of the five target proteins with seven important compounds: alliin, N-acetyl-S-allyl-L-cysteine, ajoene, pyridoxal, pyridoxamine, 4-guanidinobutyric acid, and D-glucosamine. These were mostly found in black garlic, with no different concentrations in the local and imported samples. Through this approach, we concluded that black garlic is a better candidate for antigout treatments, as several compounds were found to have good binding to the target proteins.

A content analysis of online videos containing dietary recommendations for gout and their alignment with evidence-based dietary guidelines

“…Almost 60 % of the videos analysed provided at least one dietary recommendation that did not align with the three Dietary guidance for gout in online videos evidence-based guidelines. These aberrant recommendations often focused on the consumption of traditional remedies that have yet to be researched such as apple cider vinegar or others for which only very limited data of efficacy exist, such as raw garlic and celery extracts powder (38,39) . Some videos also recommended the avoidance of carbohydrates, yet to our knowledge no studies have reported on the effect of low carbohydrate diets on the management of gout patients.…”

Potential of Active Compounds in Broadleaf Mahogany (Swietenia macrophylla) Seeds Against Breast Cancer Cells Based on In Silico Study

“…2 Molecular docking is widely used as a screening for drug candidate compounds. Lestari et al (2022) conducted computational research on compounds found in black garlic to explore their efficacy against gout. Similarly, molecular docking has been utilized in the selection of compounds present in ginger essential oil for their potential as anti-acne and antiskin aging agents, as demonstrated by Asoka et al (2022aAsoka et al ( , 2022b.…”