Comparison of PDE-5 inhibitors used in erectile dysfunction with some candidate molecules: A study involving molecular docking, ADMET, DFT, biological target, and activity

BMC Urology, Год журнала: 2025, Номер 25(1)

Опубликована: Март 11, 2025

Erectile dysfunction (ED) is a urological condition defined as the inability of man to achieve or maintain an erection. This negatively affects his sexual performance and partner. Phosphodiesterase type 5 (PDE5) inhibitors are commonly used treat ED. Arginase II plays important role in regulating L-arginine NO synthase smooth muscle human corpus cavernosum penis. molecule essential for variety functions, including arterial blood pressure, penile erection, energy balance. Substances such vardenafil, alprostadil, papaverine, resveratrol increase production, thereby supporting function vascular health. Additionally, donors L-arginine, L-citrulline, α-lipoic acid provide effective alternatives when combination with PDE5 inhibitors. Medications treatment ED include papaverine. In addition, although molecules citrulline, resveratrol, alpha-lipoic acid, rutin thought play ED, their pharmacological molecular effects have not been sufficiently elucidated. The aim this study was investigate these by computer-based calculations, obtain new information about them inspire strategies physicochemical, pharmacokinetic properties compounds were determined SwissADME software, ADMET (absorption, distribution, metabolism, excretion toxicity) data ADMETlab 3.0 software. Biological target activity obtained MolPredictX PASS Online While Gaussian 09 program DFT PyMOL, AutodockTools 4.2.6, AutoDock Vina, Biovia Discovery programs docking studies. It found that well absorbed from intestine, while showed limited absorption. When metabolic risks evaluated, citrulline lower toxicity. Molecular results remarkable. electronic explained calculations. low toxicity positive therapeutic effects. stand out promising candidates future research. Although promising, unfortunately potential interactions require further investigation. learn more conduct research improve efficacy. calculations predictions, drug interactions, pharmacokinetics should be carefully evaluated.

Язык: Английский

Hydroxytyrosol-Infused Extra Virgin Olive Oil: A Key to Minimizing Oxidation, Boosting Antioxidant Potential, and Enhancing Physicochemical Stability During Frying

Antioxidants, Год журнала: 2025, Номер 14(3), С. 368 - 368

Опубликована: Март 20, 2025

The current research aims to monitor the physicochemical changes in various varieties of extra virgin olive oils (EVOOs) supplemented with exogenous polyphenolic extract from fruit, enriched hydroxytyrosol (HTyr) and its derivatives, compared numerous refined oils, sunflower oil, high oleic oil under different deep-frying conditions (170–210 °C for 3 6 h, with/without added HTyr. Acidity, K232, K270, ∆K, peroxide value (PV), anisidine (AnV), TOTOX, refractive index (RI), carotenoids, chlorophyll, antioxidant capacity using DPPH (2,2-diphenyl-1-picrylhydrazyl) approach were evaluated. results show that EVOO generally exhibit lower acidity thermal degradation particularly when deep-fried at 170 h HTyr (the best treatment). Royuela, Koroneiki, Empeltre, Manzanilla, Arbosana demonstrated K232 values (1.36, 1.67, 1.79, 1.82, 1.81, respectively). Under optimal conditions, all fell within standard limit (≤2.5), except Cornicabra. Regarding only Royuela (0.11) Manzanilla (0.22) below ≤0.22. These two also exhibited lowest ΔK (0.00). findings further revealed had TOTOX values, 20.76, 23.38, 23.85, respectively. Moreover, Koroneiki highest carotenoid ratios, 17.5 mg/kg 13.7 mg/kg, Arbosana, 1° displayed chlorophyll concentrations, 50.2, 53.7, 47.5 Furthermore, treatment indicated categories scavenging radical activity toward DPPH, even low-quality original due addition In conclusion, EVOOs °C/3 are thermally stable, exhibiting low hydrolysis, oxidation, higher potential, stable levels. not enhances health benefits EVOO, supporting EFSA claims but acts as a promising stabilizer industry, high-temperature processing over prolonged periods. This highlights potential industrial use natural alternative synthetic antioxidants, other edible practical applications food industry improve quality stability frying oils.

Язык: Английский

Natural Products from the Mediterranean Area as Wound Healing Agents—In Vitro Studies: A Systematic Review

Antioxidants, Год журнала: 2025, Номер 14(4), С. 484 - 484

Опубликована: Апрель 17, 2025

Wound healing is a process that happens when lost tissue replenishes. For this process, both protective elements and wound accelerating factors are required. In recent years, the search for natural products promote faster prevent adverse effects has gained momentum. This systematic review, adhering to PRISMA (Preferred Reporting Items Systematic reviews Meta-Analyses) criteria, of products, with focus on from Mediterranean region. study sourced PubMed Scopus databases eligible articles publications over last six years. Due information volume, only in vitro studies were included review. The criteria set concluded 28 included. These showed many found have been studied treatment wounds. effect seems be related dose, type wounded tissue, application time. Moreover, half additionally tested shown antioxidant activity through DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS (2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid), FRAP (Ferric Reducing Antioxidant Power) assays.

Язык: Английский