DEPARTMENT OF PHARMACEUTICAL CHEMISTRY

COVID-19 is an infectious disease caused by the SARS-CoV-2 virus, which triggered a global pandemic in 2019. Phytochemicals such as diosmin and quercetin, which are present in and/or structurally similar to compounds found in Bryophyllum pinnatum, have demonstrated antiviral and anti-inflammatory effects against SARS-CoV-2 in preclinical and in silico studies and remain promising candidates for further drug development. This study aims to explore the anti-SARS-CoV-2 potential of compounds in Bryophyllum pinnatum using GC-MS and in silico methods. Ninety-nine phytochemicals from Bryophyllum pinnatum (38 isolated compounds from literature and 61 from GC-MS analysis of extracts) were evaluated. The 3D structure of the SARS-CoV-2 spike RBD/ACE2 B0AT1 protein complex (PDB ID: 6M17) was retrieved from the Protein Data Bank and prepared by removing water molecules and non-standard residues, adding hydrogen atoms using BIOVIA Discovery Studio. The compounds’ 3D structures were retrieved from the PubChem database. Each compound was docked against the spike RBD/ACE2 complex. Physicochemical, pharmacokinetic (ADME), and toxicological properties were assessed using the SwissADME and ProTox II webservers. Thirty-four phytochemicals, including two identified via GC-MS, exhibited binding affinities below –6.8 kcal/mol. Kaempferitrin showed the highest affinity (–10 kcal/mol), followed by diosmin (–9.5 kcal/mol). Post-docking and ADMET analyses indicated that some of these compounds possess favourable ADME profiles and acceptable toxicity. Bryophyllum pinnatum shows selective anti-SARS-CoV-2 potential. Taraxasterol and taraxerol displayed favorable binding and safety profiles, whereas kaempferitrin, diosmin, and bersaldegenin orthoacetate, despite stronger binding, may be limited by toxicity and warrant further optimization.

Calcium propionate is used as a preservative in baked food as a mould inhibitor. In this work, the quantitative analysis of calcium propionate content of five cornflakes was sampled. A simple, cost effective, robust and reproducible quantitative method which is based on complexation reaction between calcium propionate and ferric ammonium sulphate was utilized to quantify the amount of calcium propionate in cornflakes samples. A colour complex formation was formed between ferric cations and propionate anions which give a red-brown soluble complex, the complex was allowed to react for 30 mins and viewed at wavelength of maximum absorbance (600nm) subsequently, Absorbance obtained was plotted against concentration (Standard calibration curve). Five different cornflakes were selected, the method above was used to assay calcium propionate in them. The amount of calcium propionate present in each of the cornflakes sample was extrapolated from the graph to obtain the concentration of
calcium propionate in the cornflake sampled. The results showed that four out of the five cornflakes samples experimented
contained an amount of calcium propionate above the maximum limit of 2000mg/kg recommended by USFDA. The health implication of exceeding the daily recommended amount of calcium propionate consumption in cornflakes by consumers was exposed. Accordingly, recommendations were made on how all these could be ameliorated to improve on the health of cornflakes consumers in Nigeria.

Introduction: Antiaris toxicaria is a plant found in tropical Africa, among other tropical regions, non-scientifical used of this plant include; for hunting, neurological complaints, skin infections, gastrointestinal complaints. So this incite the need for chemical characterisation and laboratory evaluation of the ethanolic bark fraction. This study profiles its phytochemicals, and antibacterial.
Method: The bark parts were collected, pulverized and extracted with 70% ethanol from which the ethanolic fraction were obtained and analyzed by HPLC and GC-MS to identify non-volatile and volatile constituents found in the plant. Antibacterial activity was carried out against six clinical isolates (Escherichia coli, Staphylococcus aureus, Enterobacter cloacae, Bacillus subtilis, Pseudomonas aeruginosa, Bacillus cereus) was assessed by Inhibitory Zone Diameter (IZD), Minimum Inhibitory Concentration (MIC) and Minimum Bactericidal Concentration (MBC).
Results: Chromatographic and spectrometric analyses revealed the presence of major constituents such as (Ephedrine),(Proanthocyanin compound ) and (Amphyllidine compound ) with (Ephedrine) occurring at the highest concentration (17.81 µg/Ml) for HPLC, while for GC-MS, constituents such as (n-Hexadecanoic acid), (d-Glucohexodialdose) and (2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-,cis-) with n-Hexadecanoic as the highest occurring (15.07 %). The extract produced moderate inhibition zones (14–20 mm) against the six clinical isolates. The findings of this study revealed that the 70% ethanolic extract of Antiaris toxicaria possesses measurable antibacterial activity against the tested microorganisms, particularly to Gram positive bacteria than that of Gram negative with MBC/MIC ratio to be ≥ 4 for S. aureus, E. cloacae, E. coli, B. cereus depicting bacteriostatic and ≤ 4 for P. aeruginosa and B. subtilis depicting bactericidal.
Conclusion: Th ethanolic bark exract of Antiaris toxicaria contains a complex mixture of alkaloids, phenolics, flavonoids, saponins constituents that together reveals measurable antibacterial effect

Peptic Ulcer Disease (PUD) management faces rising challenges from antibiotic resistance and side effects of synthetic drugs. The plant Sida acuta Burm. f. is traditionally used in African Traditional medicine for gastrointestinal ailments. Preliminary studies confirmed its anti-ulcerogenic and antioxidant potential. This study aims to evaluate the in vivo curative anti-ulcer activity of the fractions of the crude methanol extract of S. acuta leaves and to identify the most potent fraction and its possible mechanism of action. The study involved methanol extraction and subsequent fractionation of the extract using solvents of increasing polarity: n-Hexane, Dichloromethane, Ethyl acetate and Aqueous methanol. Phytochemical screening and antioxidant efficacy tests (DPPH, FRAP) were carried out to confirm the extract's components. The in vivo anti-ulcer activity was assessed in Wistar rats using the ethanol-induced ulcer model over five days. Groups received 100 or 200 mg/kg of each fraction, or 40 mg/kg Omeprazole (standard). Ulcer severity was determined via the Mean Ulcer Index (MUI) and percentage ulcer inhibition. Qualitative analysis confirmed Alkaloids, Carbohydrate, Saponins, Terpenoids, Phenols, and Flavonoids. The crude methanol extract, containing significant levels of Total Phenol (38.61 mg GAE/g) and Total Flavonoid (20.70 mg QE/g), exhibited potent antioxidant activity, confirmed by the DPPH (IC50 of 32.26μg/ml) and FRAP (0.21 mM FeSO4 equivalent/g) assays. The in vivo anti-ulcer study, using the ethanolinduced ulcer model in Wistar rats, showed the standard treatment group achieved 73.95% ulcer inhibition. Among the fractions, the n-Hexane fraction exhibited the superior anti-ulcer potential, achieving 61.5% inhibition at 100 mg/kg. The DCM, EtOAC, and Aqueous- Methanol fractions showed moderate to low inhibition (39.70% to 57.07%). The dominant activity concentrated in the non-polar n-Hexane fraction suggests that the primary anti-ulcer mechanism of S. acuta is rooted in cytoprotection (mucosal stabilization) rather than the polar antioxidant effects. This finding successfully validates the traditional use of the plant in treatment of gastrointestinal ailments and identifies the n-Hexane fraction as the primary candidate for future bioassay-guided isolation of novel anti-ulcer compounds.

Hypertension remains a leading cause of cardiovascular morbidity, necessitating novel multitarget inhibitors. Imidazole derivatives exhibit diverse pharmacological activities, including potential modulation of vasoconstrictive pathways, yet few studies integrate computational
screening with synthetic validation for antihypertensive lead discovery. Four imidazole compounds were subjected to molecular docking using AutoDock Vina against
ACE (7bvq), AT1R (7ej8), ETAR (6ke5), and renin (5xpr) to predict binding affinities. The lead compound, 2-methyl-4,5-diphenyl-1H-imidazole, was synthesized via one-pot condensation of benzil, acetaldehyde, and ammonium acetate under reflux, followed by recrystallization. Physicochemical properties, ADMET parameters, and toxicity profiles were evaluated using SwissADME and Pro Tox 3 platforms. Docking revealed 2-methyl-4,5-diphenyl-1H-imidazole as the most potent ligand, with binding energies of -8.9 to -6.9 kcal/mol across all targets, driven by hydrophobic. It displayed high gastrointestinal absorption, blood-brain barrier permeability, balanced lipophilicity, and no
cardiotoxicity or nephrotoxicity. Synthesis yielded 57.36 % of pure yellowish crystals (m.p. 69- 71 °C). Other derivatives showed weaker binding, restricted distribution, or higher genotoxic risks. 2-Methyl-4,5-diphenyl-1H-imidazole is identified as a promising multitarget antihypertensive
lead with favorable drug-like properties and synthetic accessibility. It warrants further biological evaluation in enzyme inhibition, vasorelaxation, and in vivo models to advance toward clinical development.

Migraine is defined as a primary headache disorder characterized by recurrent attacks of moderate to severe headache, typically unilateral and pulsating in nature, lasting between 4 and 72 hours, and commonly accompanied by nausea, vomiting, photophobia and phonophobia. Current migraine treatments are effective but often limited by side effects, high costs, and the risk of medication-overuse headaches. Adverse effects such as vasoconstriction in cardiovascular patients, sedation from ditan, and the metabolic or teratogenic risks of some preventive agents restrict their broader use. These challenges highlight the need for safer, multi-targeted therapies and new compounds that act on established migraine targets like CGRP and 5-HT receptors. This study aims to use in-silico methods to assess the potential anti-migraine activity of phytoconstituents derived from Crassocephalum crepidioides, Nigella sativa, Petasites hybridus and Tanacetum parthenium. Phytoconstituents (493) present in these plants were obtained from literature sources, their 3D SDF structures were downloaded from PubChem. The protein targets: Serotonin 5-HT₁B (6G79), 5-HT₁D (7E32), 5-HT₁F (7EXD) and CGRP (63EY) receptor were obtained from Protein data bank and prepared using BIOVIA Discovery Studio 2020 and PYMOL. Molecular docking, post-docking analysis and ADMET profiling were done using PyRx, BIOVIA discovery studio 2020 and ADMETlab 3.0 web server respectively. Fourteen (14) phytoconstituents present in rassocephalum crepidioides, twenty four (24) phytoconstituents present in Nigella sativa, forty three (43) phytoconstituents present in Petasites hybridus, and thirty nine (39) phytoconstituents present in Tanacetum parthenium had binding affinity comparable to their reference drugs in the range of -6.9 to -11 kcal/mol. ADMET profiling of the phytoconstituents showed good oral bioavailability, and an overall balanced toxicity profile suggesting acceptable safety. These findings suggest that certain phytoconstituents from the selected plants may possess potential anti-migraine activity against key migraine-associated targets

SARS-CoV-2, an RNA virus from the Coronaviridae family, remains a global threat due to its rapid variant evolution and immune evasion. Artemisia annua is used traditionally to treat malaria and has documented antiviral activity. This study assesses the inhibitory potential of A. annua extracts against the SARS-CoV-2 helicase 5RMM responsible for viral replication using computational and biochemical methods. Phytoconstituents present in this plant were obtained from literature sources as well as GC-MS analysis. Their 3D structures were obtained from PubChem; the protein helicase (5RMM) was retrieved from the Protein Data Bank (PDB) and processed using Biovia Discovery Studio 2025. Molecular docking was performed using PyRx. Post-docking analysis was done using Biovia Discovery Studio 2025, and ADMET profiling was conducted using the Swiss ADME web server and Pro-Tox 3.0 virtual lab. Eighteen (18) phytoconstituents from the isolated compounds showed low ΔG energy ˂-7 kcal/mol. Others have ΔG energy <-6.5 kcal/mol. Post-docking analysis and ADMET profiling of the ligands showed that Quercimeritrin and Rhamnetin were identified as putative drug molecules based on their high binding affinity and hydrogen-bond interactions with the target protein's active-site amino acid residues. deoxyartemisinin from the n-Hexane extract and 3H- Cyclodeca[b]furan-2-one,4,9-dihydroxy-6-methyl-3,10-dimethylene-3a,4,7,8,9,10,11,11a- octahydro- from the dichloromethane extract were also highlighted for their high binding affinity scores. Isolated compounds, especially flavonols from Artemisia annua, demonstrate notable in- silico antiviral activity against SARS-CoV-2. Findings suggest the therapeutic potential of these compounds. Further investigation is required to confirm the compounds’ efficacy, elucidate their molecular mechanisms of action, and assess their safety across diverse biological systems

The use of organochlorine pesticides (OCPs) in the preservation of food substances most especially beans from pest has raised concerns about the potential impact on the
nutritional value of food crops, including beans. This study aimed to determine the levels of OCP residues in beans, assess their impact on the nutritional value, (proximate composition) Such as %Protein content, %Ash content, %moisture content, %crude fibre, ethyl extract and nitrogen free extract. The presence of heavy metals such as lead (Pb) and copper (Cu), minerals and some vital elements. Objective: To assess the impact of organochlorine pesticides on the nutritional values of beans. Method: Beans sample was collected from the market and was divided into four portions T0 (control), T1, T2 and T3 each portion weighing 200g respectively. Three concentration of sniper
were prepared 10%, 20% and 50%. And was used mixed the beans sample labeled (T1,T2 and T3) except the control T0,each sample were air dried and milled into fine powder, Protein content was determined using Kjeldahl digestion and the ammonia obtain was titrated again
sulphuric acid. The heavy metals (Pb) and (Cu) as well as minerals were determined using atomic absorption spectrophotometry AAS. Result: The results for % protein was significant lesser in control (T0) 16.7, the value increased
slightly as concentration of sniper used for treated sample increased from 10 %( 18.74) to 20% however, decreased when 50 %( 18.88) sniper was used but still higher as opposed to control. Lead content was 0.00 for control and value became 0.01 for 10%,,0.02 for 20% and 0.03 for
50%.The content of copper was 0.09 for control and the content increased as the concentration of copper increased. Conclusion: Organochlorine pesticides significant affect the nutritional value of beans, and contaminate the bean samples with lead which is not safe health and can pose a diverse health risk to human such as cognitive impairment, kidney and liver toxicity as well as reproductive
issues like infertility due to lead contents.

Organochlorine pesticides, such as lindane and endosulfan are widely used in Agriculture. They have been reported to have negative impacts on human health and the environment. The decontamination of food crops from these pesticides is therefore of great importance. In this study, the effectiveness of 10% Sodium bicarbonate in removing the aforementioned pesticides from cowpeas was evaluated. Sodium bicarbonate is a natural and inexpensive substance that has been shown to be effective in removing other types ofpesticides from food crops. The results of this study showed that treatment with sodium bicarbonate was able to significantly reduce the levels of lindane and endosulfan on the cowpeas. This suggests that sodium bicarbonate is a promising option for the decontamination of cowpeas and potentially other food crops from organochlorine pesticides. Further research is needed to fully understand the optimal conditions and mechanisms for using sodium bicarbonate as a decontaminating agent and to determine its potential for use in other crops and in different regions

Cymbopogon citratus (lemongrass) is well known for its medicinal and therapeutic activity which is mainly due to its essential oil, which has been established in previous studies to exhibit antioxidant, and sun-protective properties. In addition, the previous study has already determined its phytochemical composition (via GC-MS). This study serves as a continuation of previous work, focusing on the physicochemical characterization of lemongrass essential oil and its formulation into a cream to explore its stability and potential skincare applications. Fresh lemongrass leaves were subjected to hydrodistillation using a Clevenger-like apparatus to extract the essential oil. The physicochemical properties of the oil were analyzed, including specific gravity, acid value, saponification value, refractive index, iodine value, color, and taste. The extracted oil was then formulated into an oil-in water (O/W) emulsion cream, and its stability, pH, viscosity, spreadability, and irritation potential were evaluated. The yield of the extracted essential oil was 0.64%. Physicochemical analysis indicates a specific gravity of 0.8713, acid value of 5.0 mg KOH/g, saponification value of 170 mg KOH/g, refractive index of 1.4818, iodine value of 60 g I₂/100 g, and a pale yellow color with a bitter, spicy taste. The formulated cream exhibited good visual stability, spreadability, and a neutral pH, with the 1% essential oil concentration showing the best compatibility with the skin. These findings validate the potential of Cymbopogon citratus essential oil as a natural sun screen ingredient for skincare formulations, particularly for its stability and suitability in cream-based products. Further studies on the long-term stability and enhanced formulation characteristics are recommended.