Several natural products have been of help to humans, and its effect is noticeable in the medicinal world. Soursop with botanical name Annona muricata L. possesses antidiarrhea, anticold fever, antirheumatism, and antineuralgia properties. In this work, five selected molecular compounds were studied against type 3 of 3α-hydroxysteroid dehydrogenase (3α-HSD). Its anticancer activity was investigated using the quantum chemical method via Spartan 14 software, molecular docking via Discovery studio 2017, AutoDock Tool 1.5.6, AutoDock Vina 1.1.2, and PyMol 1.7.4.4 and the molecular dynamic simulation method via AMBER14 molecular dynamics package. Many descriptors (E_HOMO, E_LUMO, dipole moment, energy bandgap, area, volume, polarizability, polar surface area, Log P, hydrogen bond donor, and hydrogen bond acceptor) which describe the anticancer activity of the studied compounds were obtained. Also, the docking study revealed the inhibiting ability of the studied compound, and it was observed that compound C possesses a greater ability to inhibit than other studied compounds as well as the standard (5FU).

Artesunate toxicity has been linked to increased production of reactive oxygen species resulting in oxidative stress, which has been implicated in the pathogenesis of many chronic diseases. This study evaluated the effects of hydroethanolic extract of Syzygium aromaticum buds (HESAB) on serum antioxidant status and lipid profiles in Wistar rats with artesunate toxicity. Forty-eight male Wistar rats (150–200 g) randomized into six groups (n = 8) were treated as follows for 21 days: Group 1 (Control; DMSO); Group 2 (Artesunate, 15 mg/kg only); Group 3 (HESAB only, 400 mg/kg); Group 4 (HESAB only, 800 mg/kg); Group 5 (Artesunate, 15 mg/kg + HESAB, 400 mg/kg); Group 6 (Artesunate, 15 mg/kg + HESAB, 800 mg/kg). Antioxidant parameters—such as malondialdehyde (MDA), superoxide dismutase (SOD), nitric oxide (NO), glutathione (GSH), glutathione peroxidase (GPx), and catalase (CAT)—were assayed in the serum using established methods. Serum lipid profiles—which include total cholesterol (TC), triglyceride (TAG), high-density lipoprotein (HDL), and low-density lipoprotein (LDL) assays—were performed using kits. The findings showed a significant increase in lipid profile of the artesunate-induced group compared to the control and treated groups. Administration of HESAB reversed the toxic effects of artesunate. The levels of TC (69.42 ± 8.03 mg/dL, TAG (34.43 ± 6.04 mg/dL), and LDL (45.1 ± 9.66 mg/dL) in the untreated group were significantly higher than the control group TC (41.42 ± 7.57 mg/dL), TAG (28.18 ± 1.58 mg/dL), and LDL (27.73 ± 5.00 mg/dL). The antioxidant profile however was significantly reduced in the diseased (artesunate) group compared to control and treated groups. MDA, NO, and GSH levels in the untreated group were 5.032 ± 1.25 µmol/L, 10.65 ± 3.84 µmol/L, and 0.20 ± 0.145 μM respectively and 2.237 ± 0.95 µmol/L, 6.20 ± 2.21 µmol/L, and 0.49 ± 0.068 μM in control group respectively. Treatment with HESAB raised the GSH level to 0.38 ± 0.19 μM. Furthermore, CAT, SOD, and GPX were 7.62 ± 2.15, 2.76 ± 1.52, and 3.54 ± 1.91 μmol/mL in untreated group respectively and 19.03 ± 4.25, 8.05 ± 2.91, and 10.62 ± 3.24 μmol/mL in control group respectively. Treatment with HESAB raised the CAT, SOD, and GPX to 18.866 ± 2.59, 5.020 ± 0.89, and 5.05 ± 2.01 μmol/mL respectively. In conclusion, artesunate toxicity caused a significant increase in lipid profiles and decrease in antioxidant level in the rats’ serum while administration of S. aromaticum bud extract lowered lipid levels and raised the antioxidant status.

In this work, ten molecular compounds were optimised using density functional theory (DFT) method via Spartan 14. The obtained descriptors were used to develop quantitative structural activities relationship (QSAR) model using Gretl and Matlab software and the similarity between predicted IC50 and observed IC50 was investigated. Also, docking study revealed the non-bonding interactions between the studied compounds and the receptor. The molecular interactions between the observed ligands and brain cancer protein (PDB ID: 1q7f) were investigated. Adsorption, distribution, metabolism, excretion and toxicity (ADMET) properties were also investigated.

Background: There is an increasing need for botanicals to be used as an alternative and complementary medicine in the management of male infertility. Male infertility has been a major health/social challenge to people all over the world. This study, therefore, investigated the ameliorative potential of hydroethanolic leaf extract of Parquetina nigrescens (HELEPN) against d-galactose-induced testicular injury. Methods: Thirty male Wistar rats were randomly allotted into six groups (n = 5). Group I (Normal control), Group II (300 mg/kg b.w. d-galactose), Group III and IV (250 and 500 mg/kg b.w. HELEPN, respectively), Group V and VI (both received 300 mg/kg b.w. of d-galactose with 250 and 500 mg/kg b.w of HELEPN, respectively). d-galactose administration started two weeks prior to HELEPN treatment which lasted for six weeks. All assays were carried out using established protocols. Results: Administration of HELEPN at 250mg/kg and 500mg/kg concomitantly with d-galactose improved paired and relative testicular weights, levels of gonadotropins (LH and FSH) and testosterone, and poor sperm quality. HELEPN treatment reduced the levels of oxidative stress biomarkers (MDA, 8-OHDG, and AGEs) and inflammatory response (TNF-alpha and NO) to normal, as well as restoring the reduced activities of antioxidant enzymes (glutathione peroxidase, superoxide dismutase, and catalase). In addition, HELEPN treatment mitigated testicular DNA fragmentation and down-regulated caspase 3-activities. HELEPN at 500 mg/kg was observed to have the greatest ameliorative effect. Conclusion: HELEPN protects against d-galactose-induced testicular injury through antioxidative, anti-inflammatory, and antiapoptotic mechanisms.

Aim: The study investigated the anti-hyperglycemic and anti-hyperlipidemic potentials of methanol extracts of Piper guineense and Aframomum melegueta leaves with a view to utilizing the plants in the treatment and management of cardiovascular disorders. Methodology: Twenty-eight healthy albino rats were randomly divided into seven equal groups: Group I received normal saline (2 ml/kg bwt); Group II received a single dose of alloxan(150 mg/kg bwt) intraperitoneally; Group III received alloxan (150 mg/kg bwt) + glibenclamide (5 mg/kg bwt);Group IV received alloxan (150 mg/kg bwt) +PG (200 mg/kg bwt); Group V received alloxan (150 mg/kg bwt) + PG (400 mg/kg bwt); Group VI received alloxan (150 mg/kg bwt) + AM 200 (mg/kg bwt); Group VII received alloxan (150 mg/kg bwt) + AM (400 mg/kg bwt). The blood glucose level was determined before and after treatment with the extracts. The lipid: (total cholesterol (TC), triglycerides (TG), high density lipoprotein (HDL) and low density lipoprotein (LDL) were estimated using the Randox diagnostic kits. Results: The results revealed that alloxan was able to induce hyperglycemia at 150 mg/kg bwt and post-treatment with P. guineense and A. melegueta at 200 mg/kg and 400 mg/ kg bwt were able to significantly lower the blood glucose level which was quite apparent in AM treated groups. Also, the extracts at 200 mg/kg and 400 mg/kg were able to bring a significant (p < 0.05) reduction in TC, TG and LDL concentrations when compared to the alloxan treated group with the highest reduction in AM treated groups. Conclusion: These results revealed that the methanol extract of P. guineense and A. melegueta elicited anti-hyperglycemic and anti-hyperlipidemic potentials of the extracts with the highest effect observed in A. melegueta treated rats.