Resveratrol, a natural stilbene found in various plants, is mainly known for its strong antioxidant activities exhibiting a comprehensive range of treatments for some skin disorders such as skin cancer, photoaging, dermatitis, and melanogenesis. However, few studies have been conducted on the differences in biological activities between resveratrol and its derivatives. Therefore, we aimed to investigate the effects of resveratrol (Re) and its derivatives acetyl-resveratrol (Are), cis-trismethoxy resveratrol (Cre), dihydroresveratrol (Dre), and oxyresveratrol (Ore) on antioxidant and anti-tyrosinase effects using in vitro and in silico methods. In the in vitro results, Ore showed the highest antioxidant activity among the resveratrol derivatives and displayed stronger inhibitory activity against natural tyrosinase compared with that of kojic acid. Density functional theory (DFT) was used to calculate quantum chemical descriptors to understand the compounds’ electronic and physicochemical properties. Molecular docking and molecular dynamics simulations were also performed to explore the corresponding binding mode and structural behavior, revealing that Ore exhibited the strongest binding interactions among resveratrol derivatives, primarily through hydrogen bonds and hydrophobic interactions with key amino acid residues. Moreover, all the resveratrol compounds demonstrated drug-likeness properties with predicted safe skin toxicity profiles. In conclusion, Ore exhibited the strongest tyrosinase inhibition and antioxidant activity among resveratrol derivatives in both in vitro and in silico assessments. Further research on the development of medicines, cosmetics, and food supplements of such compounds should be conducted.

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.

Andrographolide (AP) is a sparingly water solubility bioactive compound from Andrographis paniculata. It exhibits several pharmacological activities. With respect to its hydrophobicity, the high-yield extract of AP is primarily obtained from organic solvents, which are considered as environmentally harmful substances. Therefore, the green extraction using an alternative solvent is eventually performed to obtain the highest AP extract. The objectives of this study are to investigate the extraction efficiency of AP using different types of cyclodextrins (CDs) in aqueous media and in silico molecular docking study of AP with the corresponding CDs. The cyclodextrin-assisted extraction of AP using alpha cyclodextrin (αCD), beta cyclodextrin (βCD), gamma cyclodextrin (γCD), methyl beta cyclodextrin (MβCD), trimethyl beta cyclodextrin (triMβCD) and hydroxypropyl beta cyclodextrin (HPβCD) at a concentration of 1 mM was investigated in aqueous media comparing with water and methanol by ultrasonication. The amount of AP in each extract was determined by an HPLC method. In screening process, HPβCD exhibited the highest extraction yield of AP compared with the other CDs. However, it was significantly lower than that in the methanolic extract (P < 0.05). Subsequently, the extraction of AP was performed as a function of HPβCD concentration. Increasing the concentration of HPβCD resulted to obtain the better extraction yield of AP comparing with a positive control of methanol (P < 0.05). In conclusion, the green extraction using HPβCD could be an alternative method to achieve a higher AP in the extract than that in the methanolic extract.

Background/Objectives: Delayed onset muscle soreness (DOMS) is a common and recurrent symptom in athletes following intensive or eccentric exercise. This study evaluated the efficacy of a topical gel of Derris scandens stem extract on pain and countermovement jump (CMJ) performance in athletes with exercise-induced DOMS and assessed skin irritation in healthy volunteers. Methods: Genistein-7-O-[α-rhamnosyl-(1→6)-β-glucopyranoside] (GG), a chemical marker of D. scandens, was quantified by HPLC. In a randomized, double-blind, active-controlled trial, athletes applied D. scandens gel (5%) or diclofenac gel (1%) to the painful site twice daily for 7 days. Pain was recorded daily using a visual analog scale, and CMJ was evaluated on days 1, 2, 4, and 8. Changes from the pre-treatment assessment were compared between groups. Results:D. scandens gel caused no skin irritation in healthy volunteers. Twenty-five athletes completed the trial (D. scandens, n = 13; diclofenac, n = 12). Pain scores decreased and CMJ recovered over the treatment period in both groups, with a significant effect of time but no significant treatment-by-time interaction or treatment effect. Pain reduction from day 2 to day 8 did not differ between groups (MD, 1.75; 95% CI, −1.01 to 4.51; p = 0.203), nor did CMJ recovery (MD, 1.96 cm; 95% CI, −2.01 to 5.93; p = 0.315). No adverse events were reported. Conclusions: Topical D. scandens gel was well tolerated, and both treatment groups showed reductions in DOMS-related pain and recovery of CMJ performance over the treatment period. Between-group differences were not statistically significant. Trial registration: Thai Clinical Trials Registry TCTR20180608003.

Nelumbo nucifera Gaertn. is a rich source of bioactive compounds, and has been extensively investigated for its antioxidant and anti-inflammatory properties. However, despite its broad pharmacological potential, detailed molecular-level insights into the interactions of its phenolic and flavonoid constituents with key skin-aging-related enzymes remain limited. Therefore, this study employed an integrated in silico and in vitro approach to systematically evaluate the anti-aging potential of phenolic and flavonoid compounds derived from N. nucifera. Molecular docking was performed to investigate their binding interactions with tyrosinase, elastase, and collagenase. Compounds exhibiting the most promising inhibitory profiles were further subjected to molecular dynamics (MD) simulations for 100 ns and density functional theory (DFT) analyses at the B3LYP/6-31G(d,p) level of theory to elucidate their structural stability and electronic properties. The computational results revealed favorable binding affinities, stable complex formation, and electrostatic features supporting hydrogen bond interactions. In vitro enzyme inhibition assays demonstrated that hesperidin exhibited inhibitory activity against tyrosinase, collagenase, and elastase, with IC₅₀ values of 3.43 mM, 2.26 mM, and 0.55 mM, respectively. Kojic acid was used as a positive control for tyrosinase, while epigallocatechin gallate (EGCG) was used as a positive control for both collagenase and elastase. Additionally, hesperidin exhibited enzyme-inhibitory activity and preliminary intrinsic UV absorption. This compound warrants further investigation, specifically regarding its stability and performance within standardized cosmeceutical formulations.