Background: Antioxidant compounds like phenols and flavonoids scavenge free radicals and thus inhibit the oxidative mechanisms that lead to control degenerative and other diseases. The aim of this study was to investigate the antioxidant activity in vitro, total phenolic and flavonoid contents in ethanol extracts and fractions of Crescentia cujete leaves and stem bark. Methods: Crescentia cujete leaves and bark crude ethanol extract (CEE) and their partitionates petroleum ether (PEF), chloroform (CHF), ethyl acetate (EAF) and aqueous (AQF) were firstly prepared. Different established testing methods, such as 1, 1-diphenyl-2-picryl hydrazyl (DPPH) radical, ferric reducing power (FRP), and total antioxidant capacity (TAC) assays were used to detect the antioxidant activity. Further, the total yield, total phenolic (TPC) and total flavonoid contents (TFC) of CEE and all the fractions were determined. Ethanol extracts of both leaves and stem bark were also subjected to preliminary phytochemical screening to detect the presence of secondary metabolites, using standard phytochemical methods (Thin layer chromatography and spray reagents). Results: Phytochemical screening of crude ethanol extract of both leaves and stem bark revealed the presence of steroids, flavonoids, saponins, tannins, glycosides and terpenoids. All the fractions and CEE of leaves and bark exhibited antioxidant activities, however, EAF of leaves showing the highest antioxidant activity based on the results of DPPH, FRP and TAC assay tests. The above fraction has shown the significant DPPH scavenging activity (IC₅₀ = 8.78 μg/ml) when compared with standard ascorbic acid (IC₅₀ =7.68 μg/ml). The TAC and FRP activities increased with increasing crude extract/fractions content. The TPC (371.23 ± 15.77 mg GAE/g extract) and TFC (144.64 ± 5.82 mg QE/g extract) of EAF of leaves were found significantly higher as compared to other solvent fractions for both leaves and bark. TPC were highly correlated with the antioxidant activity (R² = 0.9268 and 0.8515 in DPPH test for leaves and bark, respectively). Conclusion: The results of the study show that leaves of C. cujete possesses significant free radical scavenging properties compared with stem bark and a clear correlation exists between the antioxidant activity and phenolic content.

Magnolia champaca Linn. has traditionally been used for medicinal activity in Asia for treating various chronic diseases as well as a source of food, medicines, and other commodities. Due to the long-used history of this plant, the present study was designed to explore the in vitro, in vivo and in silico anti-inflammatory and antineoplastic properties of the methanolic extract and fractions and the pure compound isolated from the most active chloroform fraction (CHF) of the stem bark of the plant. The isolated compound from the most active CHF was characterized and identified as a glycoside, trans-syringin, through chromatographic and spectroscopic (¹H-NMR and ¹³C-NMR) analyses. In the in vitro anti-inflammatory assay, CHF was most effective in inhibiting inflammation and hemolysis of RBCs by 73.91 ± 1.70% and 75.92 ± 0.14%, respectively, induced by heat and hypotonicity compared to standard acetylsalicylic acid. In the egg albumin denaturation assay, CME and CHF showed the highest inhibition by 56.25 ± 0.82% and 65.82 ± 3.52%, respectively, contrasted with acetylsalicylic acid by 80.14 ± 2.44%. In an in vivo anti-inflammatory assay, statistically significant (p < 0.05) decreases in the parameters of inflammation, such as paw edema, leukocyte migration and vascular permeability, were recorded in a dose-dependent manner in the treated groups. In the antineoplastic assay, 45.26 ± 2.24% and 68.31 ± 3.26% inhibition of tumor cell growth for pure compound were observed compared to 73.26 ± 3.41% for standard vincristine. Apoptotic morphologic alterations, such as membrane and nuclear condensation and fragmentation, were also found in EAC cells after treatment with the isolated bioactive pure compound. Such treatment also reversed the increased WBC count and decreased RBC count to normal values compared to the untreated EAC cell-bearing mice and the standard vincristine-treated mice. Subsequently, in silico molecular docking studies substantiated the current findings, and the isolated pure compound and standard vincristine exhibited −6.4 kcal/mol and −7.3 kcal/mol binding affinities with topoisomerase-II. Additionally, isolated pure compound and standard diclofenac showed −8.2 kcal/mol and −7.6 kcal/mol binding affinities with the COX-2 enzyme, respectively. The analysis of this research suggests that the isolated bioactive pure compound possesses moderate to potent anti-inflammatory and antineoplastic activity and justifies the traditional uses of the stem bark of M. champaca. However, further investigations are necessary to analyze its bioactivity, proper mechanism of action and clinical trials for the revelation of new drug formulations.

Heliotropium indicum is well-known for its diverse medicinal properties, traditionally utilized to treat ailments such as diabetes, obesity, bacterial infections, inflammation, and diarrhea. This study aims to explore the anti-inflammatory effects of the extract using in vitro methods and to assess its drug-likeness potential using docking, PASS and ADME. Fractionations of crude methanol extract (CME) were undertaken in n-hexane (NHF), chloroform (CHF), and ethyl acetate (EAF). GC–MS analysis was conducted using Agilent technologies. All fractions were evaluated for radical scavenging and anti-inflammatory properties in vitro. Molecular docking was performed with PyRx and Biovia Discovery Studio, followed by drug-likeness analysis using Swiss ADME. The ethyl acetate fraction (EAF) showed the highest DPPH scavenging activity (IC50: 4.3 μg/ml), followed by chloroform (CHF, IC50: 12.95 μg/ml) and n-hexane fractions (NHF, IC₅₀: 17.6 μg/ml). Catechin had an IC₅₀ of 3.5 μg/ml. EAF and CHF also exhibited the highest hydroxyl radical scavenging activity (51.69 μg/ml). EAF demonstrated significant anti-inflammatory activity, inhibiting heat-induced hemolysis (71.90%), hypotonicity-induced hemolysis (67.18%), and AAPH-induced hemolysis (72.52%) at 400 μg/ml. Six major phytoconstituents in EAF, identified by GC–MS, were docked with COX-2. ADME and drug-likeness evaluations using the Lipinski’s “rule of five" confirmed all compounds had acceptable pharmacokinetic properties to fulfill the pharmaceutical formulations requirement. The study depicts the first and novel report of GC–MS compounds on in silico analysis. Both EAF and CHF exhibit significant anti-inflammatory activity, indicating their potential as a source for developing new therapeutic agents for treating inflammation.

Artocarpus lacucha Roxb., traditionally used in ethnomedicine, was investigated for its pharmacological potential through a multimethodological approach. The ethyl acetate fraction (EAF) and chloroform fraction (CHF) of bark extracts were analyzed for antioxidant, anticancer, and antimicrobial properties. HPLC identified key polyphenols (e.g., catechin hydrate, myricetin), while bioassays revealed EAF as the most active fraction, exhibiting the highest phenolic content (116.16 ± 1.98 mg GAE/g), potent DPPH scavenging (IC ₅₀ = 6.85 μg/mL), and significant cytotoxicity against A549 lung cancer cells (58.87% viability at 300 μg/mL). CHF, EAF, and aqueous fraction (AQF) exhibited selective antibacterial activity against resistant strain, with the CHF fraction showing the highest activity against Staphylococcus aureus (inhibition zone: 14 ± 0.6 mm). Molecular docking highlighted strong SRBD1 binding for myricetin (−6.8 kcal/mol) and catechin hydrate (−6.6 kcal/mol), supported by stable interactions in MD simulations. The findings highlight the therapeutic potential of Artocarpus lacucha bark extracts as promising sources of natural antioxidants, cytotoxic agents, and antimicrobial compounds.

This study explores the anticancer and antioxidant potential of Heliotropium indicum L. through integrated phytochemical, biological, and computational approaches. GC–MS analysis identified phenol, 3,5‐bis(1,1‐dimethylethyl) as a major constituent. The chloroform fraction (CHF) exhibited significant in vivo antitumor activity in an Ehrlich ascites carcinoma (EAC) model, showing 76.39% tumor growth inhibition, comparable to bleomycin (80.36%). CHF also demonstrated potent cytotoxicity (LC ₅₀ = 28.96 μg/mL) in a brine shrimp assay and protected against AAPH‐induced oxidative DNA damage. Molecular docking revealed strong binding of key compounds to topoisomerase II, supported by stable molecular dynamics simulations and favorable MM–PBSA binding energies. These findings highlight H. indicum as a promising source of anticancer and antioxidant agents, warranting further mechanistic and preclinical investigation.

Free radicals contribute to various diseases, while antioxidants, like phenolic compounds and flavonoids, counteract their effects. This study examines the antioxidant, anti-inflammatory, and cytotoxic properties of Xylocarpus granatum bark extracts, emphasizing ethyl acetate fraction (EAF) and the isolated compound from EAF. The antioxidant constituents like total phenolic and flavonoid contents were quantified and antioxidant activity was evaluated using 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assays. The cytotoxic potential of the extracts and the isolated compound was evaluated against brine shrimp and the MCF-7 breast cancer cell line using the MTT assay. Anti-inflammatory effects were evaluated using heat-induced hemolysis and RBC membrane stabilization assays to assess membrane-stabilizing and anti-inflammatory activity. Molecular docking studies were performed using PyRx and discovery studio. EAF demonstrated the highest total phenolic content (124.56 ± 1.35 mg GAE/g) and total flavonoid content (24.69 ± 0.48 mg QE/g), with superior performance in DPPH assays with IC₅₀ values of 3.84 µg/ml and that of pure compound, (+) catechin was 3.89 µg/ml. Anti-inflammatory effects revealed strong activity, with EAF and pure compound showing inhibition rates comparable to standard drugs like diclofenac-Na. Cytotoxicity, assessed through brine shrimp lethality and MCF-7 breast cancer cell line assays, highlighted EAF's potent activity (LC₅₀: 24.15 µg/ml) antiproliferative efficacy in a dose-dependent manner. Molecular docking studies confirmed (+) catechin's dual role as a COX-2/Caspase 9 inhibitor, elucidating its potential mechanisms of action. These findings underscore the therapeutic potential of Xylocarpus granatum extracts, particularly EAF and the isolated compound, in managing oxidative stress, inflammation, and cancer progression.