Context: Inhibiting α-glucosidase activity has been proven to regulate hyperglycemia for treating diabetes, particularly type 2 diabetes mellitus (T2DM). Plant secondary metabolites consist of phenolic acids and flavonoids, which have been identified as α-glucosidase inhibitory agents. Aims: To assess the ability of the tested phenolic acids and flavonoids as α-glucosidase inhibitors and to predict their binding interactions with α-glucosidase, as well as their pharmacokinetic properties. Methods: The tested phenolic acids and flavonoids were evaluated for α-glucosidase inhibition by in vitro study, and their binding interactions were observed by an in silico molecular docking study utilizing AutoDock 4.2 software, while their pharmacokinetic properties were predicted using SwissADME and pkCSM online software. Results: The results displayed that quercetin (QE; IC50 = 0.85 μg/mL) and gallic acid (GA; IC50 = 26.19 μg/mL) significantly inhibited α-glucosidase activity than acarbose (IC50 = 139.4 μg/mL). Molecular docking analysis revealed that QE exhibited a higher binding affinity (ΔG; -7.53 kcal/mol) compared to acarbose (ΔG; -7.00 kcal/mol). This suggested that QE formed more favorable interactions with the enzyme, as evidenced by its binding to catalytic residues D215 and D352. In contrast, acarbose interacted with only one catalytic amino acid, i.e., D215. Furthermore, GA displayed a lower binding affinity (ΔG; -4.63 kcal/mol) than acarbose and bound to a distinct site on the α-glucosidase involving amino acids K156, S241, and D242. The pharmacokinetic properties predictions revealed that the potential compounds could bind and inhibit the α-glucosidase and were not toxic. Conclusions: Therefore, this study is useful for modifying the structures of phenolic acids and flavonoids to improve their ability to inhibit the α-glucosidase activity.

Sunflower seeds have been reported to be a healthy natural source of polyphenols. This study aimed to explore the mechanisms of potential compounds in sunflower seed extract involved in wound healing; major compounds were investigated through network pharmacology and molecular docking. In an in vitro wound-healing assay applied using an immortalised human keratinocyte (HaCaT) cell model, 10 µg/mL of the sunflower seed extract promoted cell migration in HaCaT cells and led to complete wound closure after 24 h; at a 1 µg/mL concentration, it led to complete wound closure after 72 h. The sunflower seed extract presented moderate-to-strong antioxidant activity. Liquid chromatography–mass spectrometry and high-performance liquid chromatography were used to identify the major compounds present in the sunflower seed extract. Forty-seven compounds were identified, among which chlorogenic acid was the most abundant phenolic compound. Network pharmacology was used to identify wound-healing-related targets. In total, 252 proteins were linked to the 47 compounds. Cyto-Hubba analysis identified 10 hub proteins with a strong correlation with wound healing. Molecular docking was used to assess the ability of the major compounds in the sunflower seed extract to combat NF-κB1, EGFR, and MMP9. Chlorogenic acid showed higher binding affinity to all targets. Moreover, its pharmacokinetic properties were well distributed in the plasma (VDss = 0.377 log L/kg), and they were not a carcinogen and did not cause skin sensitisation. In conclusion, the findings suggest that the sunflower seed extract is a potential source of bioactive compounds that can enhance wound healing and can be developed to create a transdermal application.

Plant polyphenols possess various biological activities such as antioxidant and antidiabetic activities. Based on the high plant biodiversity in Thailand, selected edible plants were therefore investigated to explore how dietary polyphenols and α-glucosidase-inhibitory activity can contribute to significant control and prevention of type 2 diabetes mellitus (T2DM). Network pharmacology of antidiabetic activity was employed to predict the underlying antidiabetic mechanisms of the phytochemicals identified in the 15 selected edible Thai plants. The results showed that wild guava (Careya arborea Roxb.; CaA) leaf extract presented the highest total phenolic content (TPC). CaA exhibited the highest antioxidant activities in all the assays as a function of its TPC. Moreover, CaA showed the highest inhibitory effect on α-glucosidase activity in the test, with an IC₅₀ of 0.13 µg/mL, being approximately 1600 times more potent than the standard α-glucosidase-inhibitory drug acarbose. Phenolic profile analysis revealed that the CaA leaf extract consisted of gallic acid, caffeic acid, sinapic acid, rutin, and quercetin. The phytochemical contents of CaA strongly contributed to its antioxidant and α-glucosidase-inhibitory activity. In addition to other phytochemicals, the highest contents of the indolamine compounds tryptophan and melatonin were found in malabar spinach (Basella alba L.; BA) and water clover (Marsilea crenata C. Presl; MaC), at 2213.05 and 99.17 ng/g DW, respectively. Network pharmacology on antidiabetic activity exhibited the most relevant pathway involved in the insulin resistance and AGE-RAGE signaling pathways that caused glucose and glycogen synthesis in skeletal muscle, increasing hepatic gluconeogenesis, and reduced glycogen synthesis in the liver. The implication of these findings is that these Thai edible plants have the potential to combat diabetes by inhibiting the function of α-glucosidase.

Persicaria odorata (Lour.) contains considerable amounts of phytochemicals, including phenolics and essential oils, which have been reported to inhibit α-glucosidase activity. However, which bioactive compounds play a key role in inhibiting the α-glucosidase activity is unclear. To address this issue, the methanolic extract of P. odorata was assayed via in vitro studies, and forty-four compounds in P. odorata extracts were elucidated using in silico studies. The extract strongly inhibited yeast α-glucosidase with an IC₅₀ value of 0.31 µg/mL, which was 450-fold more potent than acarbose (IC₅₀ = 139.47 µg/mL), under experimental conditions. The Lineweaver–Burk plots indicated that the inhibition type of the extract on α-glucosidase is a noncompetitive inhibitor. Molecular docking demonstrated that procyanidin B (P9) and rutin (P19), which belong to the flavonoids, were predicted by computational approaches to be bioactive compounds that have more favorable binding interactions to yeast α-glucosidase residues compared to forty-four other compounds and acarbose. Molecular dynamics simulations revealed that P9 and P19 complexes with yeast α-glucosidase remained stable during the 500 ns simulations. Moreover, both P9 and P19 were predicted to qualify as α-glucosidase inhibitors with low toxicity. These findings suggest that P. odorata could be used as an alternative edible plant to manage postprandial hyperglycemia in T2DM, and could serve as basic scientific data. Further experimental studies of the pure bioactive compounds are necessary to support these findings.

Candida albicans can cause two infections in humans: superficial and systemic. The ability of C. albicans to infect the host is influenced by virulence factors and character changes so that it can fool the immune system. From the character change factor, C. albicans can form a biofilm. This study aims to determine the good concentration in inhibiting and determine the antifungal and antibiofilm activity of nanoemulsion mouthwash formulation of bajakah tampala (Spatholobus littoralis Hassk) skin extract against C. albicans. This research was conducted with an experimental method. The formulation used a spontaneous magnetic stirrer technique to make nanoemulsion preparations. Antifungal and antibiofilm tests were carried out by dilution method using a 96-well plate and a microplate reader with a wavelength of 620 nm to determine the percentage inhibition against C. albicans and determine MIC50 and MBIC50. The results showed that the nanoemulsion mouthwash formulation of S. littoralis inhibited the planktonic and biofilm of C. albicans. The concentration of 1% is expressed as MIC50 and MBIC50. Therefore, the nanoemulsion formulation of S. littoralis extract could inhibit the growth of C. albicans in the oral cavity.