Inhibitory Activity Research Articles

Oral administration of tannic acid attenuates dyslipidemia, hyperglycemia, and oxidative stress in high‐fat and fructose diet‐induced obesity in rats

AbstractObesity and diabetes are considered life‐threatening conditions, characterized by increased oxidative stress, insulin resistance, hepatotoxicity, hyperglycemia, and hypercholesterolemia. Therefore, we studied the effects of tannic acid in a high‐fat and fructose‐diet‐induced rat model of obesity. Administration of tannic acid at doses of 200 and 400 mg/kg significantly reduced fasting blood glucose concentration, reversed disoriented lipid profile, decreased liver enzyme activities, and inhibited oxidative stress compared to the high‐fat, high‐sugar group. Histopathological examination showed preserved pancreas and liver architecture in the tannic acid‐administered groups. The in vitro inhibitory activity of tannic acid against alpha‐amylase, alpha‐glucosidase, and pancreatic lipase showed good inhibitory potential. Molecular docking studies showed high binding affinity and more hydrogen bond interactions between tannic acid and receptor proteins (alpha‐amylase, alpha‐glucosidase, and pancreatic lipase) implicated in obesity and diabetes. In conclusion, tannic acid prevented the onset of oxidative stress, preserved the liver, and restored the disoriented lipid profile in high‐fat and fructose diet‐induced obesity in rats.

In-Vitro Antimicrobial Activities of Grape Seed, Green Tea, and Rosemary Phenolic Extracts Against Liver Abscess Causing Bacterial Pathogens in Cattle

Liver abscesses, which occur in finishing cattle, are of significant economic concern to the feedlot industry. The causative agents include both Fusobacterium necrophorum subspecies (F. necrophorum and F. funduliforme), Trueperella pyogenes (T. pyogenes), and Salmonella enterica serotype Lubbock (S. Lubbock). Tylosin, a macrolide antibiotic, is supplemented in the feed to reduce liver abscesses. However, due to the concern with emergence of antimicrobial resistance, the antimicrobial activities of the plant-based phenolic compounds could be an antibiotic alternative to control liver abscesses. We investigated the inhibitory activities of phenolic compounds extracted from grape seed, green tea, and rosemary on liver-abscess-causing bacterial pathogens. Total phenolic content was determined spectrophotometrically. Anaerobic Brain–Heart Infusion broth (for Fusobacterium) and Muller–Hinton broth (for S. enterica and T. pyogenes) with phenolic extracts at 0, 0.1, 1, and 2 mg/mL were prepared. Growth was measured at 0, 12, 24 and 48 h by determining bacterial concentrations. A micro-broth dilution method was used to quantify the inhibition. Grape seed and green tea phenolics inhibited growth of both Fusobacterium subspecies, T. pyogenes and S. enterica. Green tea at 1 mg/mL concentration was more effective in inhibiting the growth of Fusobacterium when compared to grape seed and rosemary. Green tea at 2 mg/mL was more effective than at 1 mg/mL against Salmonella. The inhibitory effect was dose-dependent, which was consistent across all strains within the same bacterial species. The phenolic extracts were inhibitory against T. pyogenes with minimum inhibitory concentration ranging from 6.25 to 12.5 µg/mL. Among the phenolic extracts tested, green tea showed the most potent activity, suggesting its strong potential as a natural alternative to conventional antibiotics. Plant-based phenolic compounds supplemented in the feed may have the potential to control liver abscesses.

In vitro Evaluation of Endocrine‐Related Adverse Effects of 5‐Fluoroindole Derived Melatonin Analogues with Antioxidant Activity

Melatonin (MLT) is a natural indolic hormone and its antioxidant activity has been reported through various mechanisms. MLT interacts with the estrogen signaling pathway by inhibiting aromatase enzyme, and it has been suggested that these new compounds may have endocrine‐related adverse effects due to their selective estrogen modulator activity. In this study, we investigated the aromatase inhibitory and estrogen receptor agonist/antagonist effects as well as possible antioxidant activity of MLT analogue 5‐floro indole derivatives for being potential drug candidates in the prevention and treatment of oxidative stress related diseases. Among the 34 compounds tested, three compounds showed antioxidant effect through radical scavenging activity and reducing the formation of intracellular reactive oxygen species. They also showed varying potencies of antiestrogenic and/or aromatase inhibitory activity which should be considered as a potential untargeted effect of MLT and its analogues.

Three New Sesquiterpenes from the Leaves of Aglaia elaeagnoidea with NO Inhibitory Activity

Aglanoideas A‐C (1‐3), three undescribed sesquiterpenes and eleven known compounds (4‐14) were isolated from the leaves of Aglaia elaeagnoidea. Their structures including absolute configurations were characterized by using IR, HR‐ESI‐MS, NMR, and experimental and calculating ECD methods. Compounds 3‐5 and 7 showed moderate nitric oxide inhibitory activity with IC50 value ranging from 53.7 to 72.5 µM.

Enrichment, Antioxidant and Enzyme Inhibition Activities of Flavonoids from Artemisia Selengensis Turcz.

Macroporous resin was used to enrich flavonoids in the ethyl acetate extract of Artemisia Selengensis Turcz. Based on a single factor experiment, the enrichment process was optimized using the response surface method. The optimal parameters of the enrichment process were a sample concentration of 0.3 mg/mL, a loading rate of 1 mL/min, an elution flow rate of 2 mL/min, and a total flavonoid content of 155.38 ± 0.97 mg/g. The flavonoids enriched by AB‐8 macroporous resin demonstrated significant scavenging activities against DPPH, ABTS+, and hydroxyl free radicals, and also exhibited certain inhibitory effects on α‐amylase and α‐glucosidase. Among them, the scavenging ability of the flavonoids enriched by AB‐8 macroporous resin on hydroxyl free radical (IC50 = 30.31 ± 1.92 μg/mL) was the closest to Vc, and the inhibitory effect on α‐glucosidase (IC50 = 16.19 ± 1.35 μg/mL) was the best. These findings confirmed the potential of Artemisia Selengensis Turcz. is a natural antioxidant and hypoglycemic drug.

Enzyme Inhibitory Activities and RP-HPLC Analysis of Geranium and Erodium Species.

The genera Geranium and Erodium (Geraniaceae) have been documented to possess diverse ethnopharmacological uses, including diabetes mellitus. Relevant to their ethnopharmacological use, the current study aimed to evaluate the α-glucosidase, α-amylase, acetylcholinesterase (AChE), and butyrylcholinesterase (BChE) enzyme inhibitory activity of ethanol extracts from 46 samples belonging to thirty-one species of Geranium (20) and Erodium (11) collected throughout Türkiye. The majority of the extracts displayed a marked α-glucosidase and α-amylase inhibitory activity. Besides, 23 extracts out of 46 exhibited a concentration-dependent inhibitory effect over 50 % towards AChE. The highest AChE inhibition was found in G. subcaulescens collected from Konya with an IC50 value of 4.73±2.96 μg/mL. E. somanum, E. leucanthum, and E. sipthorpianum exhibited the most potent α-glucosidase inhibitory activity, while E. birandianum and E. pelargoniiflorum were the most active extracts against AChE and BChE, respectively. Three extracts that had inhibitory activity over 50 % against four of the enzymes were selected and proceeded to RP-HPLC analysis. Geraniin and ellagic acid were identified as major compounds in the active extracts. Most species screened in the current study were examined for the first time against α-glucosidase, α-amylase, AChE, and BChE.

Novel pyrrole based triazole moiety as therapeutic hybrid: synthesis, characterization and anti-Alzheimer potential with molecular mechanism of protein ligand profile

As a springboard to explore novel potent inhibitors of cholinesterase enzymes (AChE and BChE) responsible for causing Alzheimer disorder, the current study was conducted to synthesize pyrrole derived triazole based Schiff base scaffolds by facile synthetic route. These compounds were validated by 1HNMR, 13CNMR and HREI-MS. All these scaffolds (1–16) were examined for their inhibitory activity against AChE and BChE in contrast to Donepezil (10.20 ± 0.10 and 10.80 ± 0.20 µM) and Allanzanthone (12.40 ± 0.10 and 13.10 ± 0.10 µM). All pyrrole derived triazole based Schiff base scaffolds (1–16) showed varied range of inhibitory potentials against acetylcholinesterase and butyrylcholinesterase enzymes with lowest inhibition concentration values ranging from 5.10 ± 0.40–27.10 ± 0.10 µM (for AChE) and 5.60 ± 0.30–28.40 ± 0.30 µM (for BChE). SAR analysis of these derivatives revealed analog 7 as lead molecule against targeted enzyme, while analog 6 and 11 were ranked as second and third most potent scaffolds. Binding affinity and selectivity of potent molecules against targeted enzymes were examined by molecular docking and obtained results showed that potent molecule have versatile significant binding interactions with stated enzymes. Furthermore, safety profiles of potent analogues were predicted via ADMET protocols.Graphical

Purification and Characterization of Plantaricin PQ12: A Novel Bacteriocin from Lactiplantibacillus plantarum Isolated from Fermented Cucumbers, with Inhibitory Activity against Foodborne Pathogens

Purification and Characterization of Plantaricin PQ12: A Novel Bacteriocin from <i>Lactiplantibacillus plantarum</i> Isolated from Fermented Cucumbers, with Inhibitory Activity against Foodborne Pathogens

Three New Spirostan Glycosides from Dracaena Cochinchinensis with NO Production Inhibitory and Antimicrobial Activity.

Three new spirostan glycosides, dracochinosides A-C (1-3), and four known steroidal glycosides (4-7) were isolated from the aerial parts of Dracaena cochinchinensis (Lour.) S.C.Chen. Their chemical structures were determined by the IR, HR-ESI-MS, 1D-, and 2D-NMR spectra. Compounds 1-3, 6 and 7 inhibited nitric oxide production in LPS activated RAW 264.7 cells with IC50 values ranging from 57.5 to 92.8 μM. In addition, all the isolated compounds exhibited at least one of seven tested microbial strains with the MIC values ranging from 0.016 to 0.128 mg/mL. This is the first report of compounds 5-7 from the genus Dracaena.

Photo-physical characterizations and evaluation of in-vitro antioxidant, anti-inflammatory and antidiabetic potentials of green synthesized ackee (Blighia sapida) selenium nano-particles

BackgroundGreen synthesized nanoparticles have recently gained significant medicinal applications and oftentimes outperform their green sources. Selenium is of fundamental importance to human health, stemming from its distinctive physicochemical properties, such as antioxidant activity, inhibition of Lipid peroxidation, stabilization of membrane proteins, maintenance of membrane fluidity and modulation of cell signaling. Though reports have shown some therapeutic potential of Ackee plant parts such as antioxidant, anti-inflammatory, antimicrobial, neuroprotective, very few scientific proofs still exist in support of these effects.MethodsThis study synthesized selenium nanoparticles (Se-NPs) from crude methanolic extracts of Ackee leaves (AKL) and Ackee arils (AKA), examined the photo-physical characteristics of the Se-NPs and determined the in-vitro antioxidant, antidiabetic, and anti-inflammatory potentials of AKL, AKA, and their Se-NPs using established protocols.ResultsIn both leaves and arils Se-NPs: UV spectroscopy revealed a qualitative absorbance at 310 nm; FTIR indicated multiple vibrations around 4000 cm−1- 400 cm−1; SEM images of 5 µm principally showed consistent size distribution of amorphous and granular shape at a magnification of 10,000X; while EDS spectra strongly confirm the presence of atomic Se compound at 30 kV. Various antioxidant activities assays carried out showed a range of approximately 4 to 60 times higher activities of the AKL, AKA, and Se-NPs than Ascorbic acid—the standard drug used. Furthermore, appreciable activities of more than 50% were obtained for alpha-amylase and alpha-glucosidase inhibitory activities, along with highly significant activities of haemoglobin glycosylation, glucose uptake, membrane stabilization, anti-arthritic, anti-haemolysis activities, when AKL, AKA, and Se-NPs were compared with standard drugs.ConclusionEncouraging the development and utilization of AKL, AKA, and Se-NPs will provide tremendous therapeutic efficacy and bioavailability approaches towards the management of diabetes, inflammation, and other oxidative stress-related diseases.

Bioactivity-Based Analysis and Chemical Characterization of Hypoglycemic Components from Helicteres angustifolia L.

Helicteres angustifolia L. (H. angustifolia), a well-known traditional Chinese medicine, has been demonstrated to have hypoglycemic activity. We found that the EtOAc extract of H. angustifolia (HAEF) showed stronger α-glucosidase inhibitory activity than that of positive control. Furthermore, the hypoglycemic activity of HAEF was evaluated in streptozotocin (STZ)-induced type 2 diabetes mellitus (T2DM) rats. The results demonstrated that HAEF reduced the drinking quantity, feeding quantity, and controlled weight loss in diabetic rats. Besides, the fasting blood glucose (FBG), viscera index, and the area under time-blood glucose curve (AUC) were significantly decreased, and the oral glucose tolerance was also improved after 5 weeks. Then, the high-performance liquid chromatography with quadrupole time of flight tandem mass spectrometry (HPLC-Q-TOF-MS/MS) method was performed for qualitative analysis of the chemical constituents in HAEF. Twenty-one compounds were identified from in HAEF. Four compounds were further isolated from HAEF and subjected to α-glucosidase inhibition experiments. At the end, molecular docking was empolyed simulate the interaction of three compounds with α-glucosidase. This is the first report on major hypoglycaemic components has been identified in the roots of H. angustifolia. These findings provide a material basis for the use of H. angustifolia in the treatment of diabetes.

Evaluation of anti‐acne activity of human whole saliva against acne vulgaris: An in vitro study

AbstractBackgroundAcne vulgaris (AV) is a multifactorial inflammatory skin disorder, affecting 9.45% of the world's population. AV can be painful, discomforting, and disfiguring due to scarring, leading to physiological distress, and economic burden. AV pathogenies can be due to various factors, key ones include follicular plugging, colonization by the microorganism, endocrinological factors, and inflammation. Gram‐positive bacteria Cutibacterium acnes and Staphylococcus epidermidis are the most common pathogens isolated from patients with AV.AimThe present study aimed to investigate the anti‐acne activity of whole human saliva against bacteria that cause AV.Materials and MethodsThe saliva sample from four different individuals was collected at three different intervals. These samples were used to perform antimicrobial susceptibility test (AST) against the pathogens. Kirby–Bauer disk diffusion susceptibility test, and Broth dilution method using Resazurin were performed.ResultsThe human saliva was effective in inhibiting Cutibacterium acnes and Staphylococcus epidermidis those causing AV. The Minimum inhibitory activity and disc diffusion assay depicted potency of saliva. The pH of the saliva samples was found to be more acidic in the morning samples when compared with the evening samples. The afternoon sample was found to be more effective when compared with the other two intervals.ConclusionsSaliva shows effective anti‐acne activity by inhibiting the growth and proliferation of acne‐causing bacteria.

Endemic Plant Rumex balcanicus: Phenolic Composition, Antioxidant Activity, Enzyme Inhibitory Potential and Molecular Docking Analysis.

Although the nutritional and health benefits of Rumex species are well known, little is known about the chemical composition and pharmacological activities of Rumex balcanicus Rech. fil. (Polygonaceae), an endemic plant of the Balkan Peninsula. To the best of our knowledge, this paper represents the first attempt to comparatively analyse phenolic composition, as well as in vitro pharmacological activites of dry hydromethanol extracts of R. balcanicus fruit (RBF), leaf (RBL) and root (RBR), collected in Serbia. The maximum total phenolic content was found in RBF (386.6 mg GAE/g). The RBF was characterized by high amounts of miquelianin (28.8 mg/g) and procyanidin B1 (28.1 mg/g). The RBL was the richest in quercitrin (18.4 mg/g) and miquelianin (15.0 mg/g), while nepodin (54.1 mg/g) and procyanidin B2 (40.6 mg/g) were the major compounds in RBR. The RBF exhibited significant antioxidant activity, evaluated by DPPH (IC50=4.9 μg/mL), ABTS (IC50=0.8 μg/mL) and FRAP (5.9 mmol Fe2+/g) assays. Moreover, RBF showed strong α-glucosidase inhibitory activity (IC50=1.8 μg/mL), in addition to notable anti-α-amylase, anti-acetylcholinesterase and anti-tyrosinase activities. Molecular docking analysis predicted miquelianin and procyanidin B2 as the greatest inhibitors of these enzymes. Overall, R. balcanicus fruits stood out as the most promising plant material worth further research.

Isolation of Novel Compounds from Lepidium sativum Seeds and Evaluation of Their Potential Anti-Tumor Activity.

Four undescribed compounds including a pair of enantiomers of a dihydroarylnaphthalene lignan [(±)-1], an arylnaphthalene lignan (2), and an indoleacetic acid ester (3), together with four known compounds (4-7), were isolated from the seeds of Lepidium sativum. Their structures were identified by HRMS and NMR spectroscopic data, and the absolute configuration of these compounds were assigned by ECD data in combination with quantum chemical calculations. Compound (-)-1 had weak inhibitory activity against HeLa cell line with an IC50 value of 60.23±3.51 μM, and compound (+)-1 presented moderate inhibitory effect against HeLa cell line with an IC50 value of 19.99±1.00 μM (IC50 value of the positive control was 0.40±0.02 μM).

Antioxidants, ACE I Inhibitory Peptides, and Physicochemical Composition, with a Special Focus on Trace Elements and Pollutants, of SPRING Spawning Atlantic Herring (Clupea harengus) Milt and Hydrolysates for Functional Food Applications

Norwegian spring spawning (NVG) herring milt is a raw material with high nutritional and functional values. However, its incorporation into food presents physicochemical and sensory challenges. Its high DNA content, the presence of TMA/TMAO and possibly heavy metal and/or environmental pollutants, and its bitter taste due to amino acids or peptides requires a careful approach to food development. Hydrolysis with food-grade enzymes enable an improvement in both the functional and sensory properties of the substrate and the increased stability of the raw materials and end products. HLPC, GC-MS, and in vitro protocols were used for the characterisation of manually extracted material (sample code: HMC) and milt from a fish-filleting line from early spring/late autumn catches. Three different food-grade protein hydrolysates were prepared from these raw materials (sample codes: H1, H2, and H3) as a means to estimate their functional food development potential. Combinations of three commercial enzymatic preparations were applied, targeting specific sensory properties. Parameters related to consumer safety (e.g., the presence of heavy metals and TMA/TMAO); beneficial health effects, such as antioxidant or antihypertensive bioactivities (measured using in vitro TAC, ORAC, DPPH, and ACE I inhibitory activity assays); the presence of beneficial fatty acids and micronutrients; and the protein quality were studied. On the basis of their total amino acid compositions, freeze-dried herring milt and hydrolysates could provide high-quality protein with most of the essential amino acids and taurine. Powdered milt has a particularly high fatty acid profile of bioavailable omega-3 fatty acids (2024.06 mg/100 g docosahexaenoic acid (DHA; 22:6n-3) and 884 mg/100 g eicosapentaenoic acid (EPA; 20:5n-3)). The experimentally measured levels of arsenic (3.9 ± 1.2 mg/kg) and cadmium (0.15 ± 0.05 mg/kg) were higher than the levels of the other two heavy metals (mercury and lead). The bioactivity is concentration-dependent. Overall, this work presents complementary information for the future utilisation of C. harengus powdered milt (possibly obtained directly from a fish-filleting line) and some of its protein hydrolysates as food ingredients.

A Novel Lactam and Two Rare Mycophenolic Acid Derivatives from the Fungus Penicillium Sclerotiorum JBHL321.

A novel lactam penicillactam (1), two rare mycophenolic acid (MPA) derivatives penimycophens A and B (2 and 3), together with two known biogenetically related MPA derivatives (4 and 5) and a known alkaloid (6) were isolated from the Penicillium sclerotiorum JBHL321. The structures of these compounds were determined by comprehensive spectroscopic analyses. The absolute configuration of 1 was confirmed by electronic circular dichroism (ECD) calculations. Compound 1 represent the rare example of a oxygen bridge-linked lactam from natural products. Structurally, compounds 2 and 3 were rare MPA derivatives featuring a methoxy group at C-3. The inhibitory activity of compounds 1-6 against two phytopathogenic fungi, three phytopathogenic bacteria and four cancer cell lines were evaluated. Compounds 2-5 exhibited significant cytotoxic activity against HeLa, MCF-7, A549 and MGC-803 cells with IC50 values in the low micromolar to nanomolar. Compound 3 exhibited especially cytotoxic activity against four different cell lines with IC50 values ranging from 0.06-0.14 μM, compared to IC50 values ranging from 0.62-2.51 μM for epirubicin.

Design, synthesis, and anti-breast cancer activity evaluation of novel 3-cyanopyridine derivatives as PIM-1 inhibitors

AbstractA novel series of cyanopyridines 7a-j were synthesized via a one-pot multicomponent reaction of arylidene 4 with ammonium acetate 5 and respective methylaryl/heterylketones 6a-j in ethanol using vanillin as a natural starting material. Moreover, the regioselective alkylation reaction was studied by the treatment of cyanopyridines 7a-f and 7j with CH3I in the presence of K2CO3 in DMF to afford O-methylcyanopyridines 8a-g (major) and N-methylcyanopyridines 9a-g (minor), whereas bipyridine 7h gave bipyridinium iodide salt 10. All of the designed cyanopyridines were evaluated as anti-breast cancer (MCF-7) cell lines via PIM Kinase inhibitory activity, and the results displayed that some of them showed high activities, especially compounds 7h and 8f, which showed excellent activities against MCF-7 with IC50 values of 1.89 and 1.69 μM, respectively, more potent than the reference drug doxorubicin. Mechanistically, compounds 7h and 8f exhibited strong in vitro PIM-1 kinase inhibitory activity with an IC50 of 0.281 and 0.58 μM, respectively, compared to the reference staurosporine. Moreover, compound 7h arrested the tumor cells at the S phase and caused cell death mainly by inducing early and late apoptosis. Molecular docking studies against PIM-1 revealed good binding modes of the synthesized compound and showed agreement with the biological results. Graphical abstract

Natural Products-Based Anticancer Agents: Synthesis and Anticancer Activities of Funtumine Amide/Sulfonamide Derivatives.

Funtumine is a pregnene-type steroidal alkaloid exhibiting moderate anticancer activity. To discover novel natural product-based anticancer drugs, a series of novel funtumine amide/sulfonamide derivatives were papered and identified using spectroscopic techniques. Additionally, the structures of compounds 2j, 3a, and 4k were further confirmed through X-ray diffraction analysis. Biological activity experiments conducted against three cancer cell lines revealed that several of the synthesized compounds demonstrated inhibition activities comparable to or exceeding those of the commercial anticancer agent, 5-Fluorouracil. Especially compound 4i demonstrated a notably strong growth inhibitory effect on HePG2 (IC50=14.89 μM) and HCT116 (IC50=15.67 μM) cell lines, while exhibiting minimal cytotoxicity towards human normal BEAS-2B cells. Preliminary structure-activity relationships (SARs) analysis indicated that the conversion of the carbonyl group at the C-20 position of funtumine to a hydroxyl group could yield more potent compounds.

Two new glycosides and a new flavone from Gerbera delavayi

Three new compounds, including two glycosides, named gerbelavinsides E/G (1/2), and a flavone, named gerbelavin G (3), were isolated from 50% ethanol extract of Gerbera delavayi. Their structures were elucidated based on HR-ESI-MS, IR, UV and NMR spectral data, and the absolute configurations of 1 and 3 were determined by ECD spectra. Three compounds were tested for their inhibition effect against LPS-induced NO production in RAW 264.7 cells. They exhibited different degrees of inhibition activities with rates of 40.55 ± 1.65%, 70.13 ± 0.55%, 56.74 ± 1.15%, respectively.

Exploring the Inhibitory Potential of Phytosterols β-Sitosterol, Stigmasterol, and Campesterol on 5-Alpha Reductase Activity in the Human Prostate: An In Vitro and In Silico Approach

Steroidal 5α-reductase type 2 (S5αR2) is a key enzyme involved in the conversion of testosterone (TST) to dihydrotestosterone (DHT), a crucial process in the development of benign prostatic hyperplasia (BPH). Phytosterols (PSs), natural plant-derived compounds, have been proposed as potential inhibitors of S5αR2, but studies on their efficacy are limited. This study evaluates the inhibitory effects of three PSs (β-sitosterol, stigmasterol, and campesterol) on S5αR2 activity using a combined in vitro and in silico approach. The inhibitory activity of the respective PSs was assessed in vitro, by measuring TST and DHT, while molecular docking and dynamics explored PS interactions with S5αR2’s active site. The in vitro tests indicated significantly higher IC50 values (β-sitosterol, 3.24 ± 0.32 µM; stigmasterol, 31.89 ± 4.26 µM; and campesterol, 15.75 ± 5.56 µM) for PSs compared to dutasteride (4.88 × 10−3 ± 0.33 µM), suggesting a lower efficiency in inhibiting S5αR2. The in silico studies confirmed these observations, explained by the lower binding affinity identified for PSs to the enzyme’s active site in the molecular docking studies and the reduced stability of the interactions with the active site of the enzyme during the molecular dynamics simulations compared to dutasteride. The results suggest that PSs exhibit low-to-negligible inhibitory activity against S5αR2 (µM range) compared to the synthetic inhibitor dutasteride (nM range). Among the three PSs studied, β-sitosterol showed the highest inhibitory activity and the best stability in its interaction with S5αR2, when compared with stigmasterol and campesterol.