Borneo Journal of Pharmacy

Phytochemical Insights into Rhizophora stylosa: pH-Dependent Extraction, Antioxidant Activity, and Enzyme Inhibition Potential

2025-10-17T08:43:19+00:00

The solvent properties, including pH, highly influence the extraction efficiency of these bioactive compounds. This study investigated the effect of pH modulation in the ethanol solvent on the recovery of antioxidants from Rhizophora stylosa. Ethanolic extraction was performed on R. stylosa samples using solvents adjusted to varying pH levels (4, 8, 9, 10, and 12). The total phenolic content (TPC) and total flavonoid content (TFC) of the extracts were quantified using standard colorimetric assays. The antioxidant activity was evaluated using the DPPH (2,2-diphenyl-1-picrylhydrazyl) radical scavenging assay. The inhibitory activity against carbohydrate-digesting enzymes was assessed through α-amylase and α-glucosidase inhibition assays. Additionally, data mining of established natural product databases (KNApSAcK and IMPPAT) and literature was conducted to identify and catalog the known bioactive constituents of R. stylosa. The results demonstrated a significant correlation between the pH of the extraction solvent and the yields of phenolic compounds, flavonoids, and the resulting antioxidant activity. Extract obtained at pH 10 yielded the highest TPC and exhibited the strongest antioxidant activity, whereas the highest TFC was observed at pH 4. Furthermore, enzymatic inhibition assays revealed that the pH 10 extract displayed moderate α-amylase inhibitory activity (IC₅₀ = 76.7 µg/mL) but substantially weaker α-glucosidase inhibition (IC₅₀ = 190 µg/mL), demonstrating a selective inhibition profile though less potent than that of acarbose. These findings establish pH-modulated extraction as a targeted strategy to produce potent, phenolic-rich antioxidant extracts from R. stylosa, highlighting its potential for nutraceutical and pharmaceutical applications.

Computation and Experimental Approaches to Uncover the Antidiabetic Potential of Insulin Leaf (Tithonia diversifolia) Extract Based on Flavonoid Constituents

2025-11-27T09:17:11+00:00

Insulin leaves (Tithonia diversifolia) are traditionally used by the community to lower blood sugar, although this has not been scientifically proven. Tithonia diversifolia is known to contain flavonoids, which are responsible for the antidiabetic activity of these leaves. Therefore, this research was conducted to investigate the antidiabetic effects of T. diversifolia, specifically through its flavonoid content. Tithonia diversifolia was extracted with 90% methanol and analyzed for flavonoid content by Liquid Chromatography-Mass Spectrometry (LC-MS). To investigate the antidiabetic activity, the sample extract was tested for its effect on the in vitro amylase enzyme and inhibition of glycated haemoglobin. Moreover, advanced techniques such as in silico analysis and molecular docking are used to elucidate the molecular mechanism behind the antidiabetic effects of T. diversifolia. The results of our study revealed that plant extracts, particularly those rich in flavonoids such as luteolin, genistein, and hispidulin, are potent inhibitors of the α-amylase enzyme and the formation of glycated haemoglobin. The Inhibition Concentration 50% (IC₅₀) values of flavonoids were lower than those of glibenclamide, suggesting their superior efficacy in stabilizing blood sugar levels. Docking analysis further confirmed the strong interactions between flavonoids and key enzyme residues and haemoglobin, while Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) predictions indicated favourable absorption and distribution profiles. Both experimental and computational approaches show the importance of flavonoids in the antidiabetic activity of T. diversifolia extracts, highlighting their contribution to its effectiveness.

Determination of Osteoporosis Risk in Post-Menopausal Women Using the Malaysian Osteoporosis Screening Tool: A Pilot Study in a Community Pharmacy

2025-12-04T03:46:50+00:00

Osteoporosis detection remains suboptimal in Malaysia. This study aimed to evaluate the Malaysian Osteoporosis Screening Tool (MOST) and supplementation behaviours in a community pharmacy. A cross-sectional study was conducted in a private pharmacy in Temerloh, Pahang (May–August 2025). Postmenopausal women (n = 126) completed questionnaires and underwent anthropometric assessment (BMI, hip circumference). MOST scores were calculated, and group differences were analyzed using Mann–Whitney U and Kruskal–Wallis tests (p < 0.05). All participants were classified as "at risk" (MOST ≥ 4); the median score was 42.0 (IQR 12.0–42.0). Scores were significantly higher among women aged ≥60 years (p < 0.001), those with lower education (p = 0.005), and the unemployed (p = 0.005), but were unrelated to income, ethnicity, or residence. Hip circumference was ≥90 cm in 96.8% of cases, limiting its discriminatory value. Lifestyle and clinical factors, including family history, hormone therapy, steroid use, smoking, coffee intake, carbonated drinks, and calcium- and vitamin D-rich foods, were not associated with MOST scores. Supplement use included calcium (27.8%), vitamin D (35.7%), and combined calcium–vitamin D (26.2%). Calcium users had higher scores (p = 0.011); vitamin D or combined use showed no differences (p > 0.05). MOST concentrated nearly all postmenopausal women into the high-risk category, primarily reflecting age and menopausal duration. Findings support its feasibility in community pharmacies and highlight gaps in coordinated calcium–vitamin D supplementation.

Expert Validation of a Medication Error Assessment Tool in the Integrated Medicine Management Model for Geriatric Patients with CHF

2026-03-27T04:21:15+00:00

Geriatric patients with congestive heart failure (CHF) face an elevated risk of medication errors due to physiological changes, polypharmacy, and comorbidities. Integrated Medicine Management (IMM) is a multidisciplinary model designed to minimize drug-related problems through structured interventions during admission, hospitalization, and discharge. This study aimed to validate a medication error checklist developed for the IMM model, specifically for hospitalized older adults with CHF. A descriptive, quantitative design was applied, with expert-based content validation. A purposive sample of eight healthcare professionals, including physicians, clinical pharmacists, and senior nurses, was recruited. Each checklist item was assessed for relevance using a 4-point Likert scale. Content validity was evaluated using the Item-Level Content Validity Index (I-CVI) and the Scale-Level CVI (S-CVI/Ave). All nine items obtained I-CVI values of ≥0.875, with seven items achieving a full consensus (I-CVI = 1.00). The overall S-CVI/Ave was 0.97, indicating excellent content validity. The checklist integrates global safety frameworks, including the STOPP/START criteria, the WHO Medication Without Harm initiative, ISMP's high-alert medication guidance, and The Joint Commission's reconciliation protocols. Core components address reconciliation, therapy duplication, high-risk drugs, and discharge education. The validated checklist demonstrates strong content validity and clinical relevance for detecting medication-related problems in hospitalized geriatric CHF patients. Integration into digital platforms such as MINE (Medicine IN gEriatric) may enhance interprofessional collaboration, reduce preventable errors, and promote safer pharmacotherapy across care transitions.

Optimization of Gel Cream Containing HAMIN™ and HPMC K100M as Bases for Topical Delivery of Diclofenac Sodium

2025-10-31T09:18:38+00:00

Diclofenac sodium, a widely used NSAID, has limited skin permeability, which reduces its topical efficacy; therefore, a gel-cream formulation combining the rapid absorption of gels with the emollient properties of creams is proposed to enhance drug penetration and patient comfort. To further improve delivery, HAMIN™, a novel natural palm oil–based base with excellent biocompatibility and lipid-enhancing properties, will be combined with HPMC K100M. This thickener stabilises viscosity and prolongs skin contact time, supporting better absorption. This study aimed to develop and optimise a topical gel cream for diclofenac sodium using HAMIN™ and HPMC K100M to achieve ideal physical properties and improved skin penetration. The formulation was statistically optimised using a Simplex Lattice Design (SLD), with HAMIN™ (X₁) and HPMC K100M (X₂) as independent variables, and pH (Y₁), spreadability (Y₂), viscosity (Y₃), extrudability (Y₄), release flux (Y₅), and permeation flux (Y₆) as dependent responses. Optimisation with Design Expert version 13 yielded the ideal composition of 16.84% HAMIN™ and 1.16% HPMC K100M, resulting in predicted values of pH 5.07, spreadability 7 cm, viscosity 4502.25 mPas, extrudability 78.98 N/s, release flux 70.61 µg/cm²√min, and permeation flux 0.4868 µg/cm²/min, with a desirability score of 0.829. Despite a slightly lower release flux, the optimised HAMIN™ and HPMC K100M-based gel cream demonstrated superior skin permeation compared to a commercial emulgel for up to 300 minutes. The incorporation of HAMIN™, a natural palm oil base, offers a novel and effective strategy to enhance the topical delivery of diclofenac sodium via a statistically optimised gel cream formulation.

Identification of Gene Variations Associated with Diabetic Neuropathy Using Bioinformatics Approach

2025-12-11T03:40:24+00:00

Diabetic neuropathy is the most common complication of diabetes, experienced by almost 90% of diabetic patients. Pain is one of the most common symptoms of diabetic neuropathy, but the pathophysiologic mechanism of pain is not clearly known. The hypothesis of hyperglycemia toxicity to the development of pain complications has been widely accepted worldwide, but there are still other hypotheses proposed. The basic concept in the management of painful diabetic neuropathy is to exclude other causes of peripheral neuropathic pain, improve glycemic control for prophylactic therapy, and use drugs to reduce pain. Diabetic neuropathy variation data can be obtained from the Ensembl Genome Browser. Here, genes associated with 26 variants were selected according to Haploreg version 4.2. In addition, protein expression of missense gene variants was examined using the GTEx portal to determine two variants: rs55703767, which encodes the COL4A3 gene, and rs141560952, which encodes the DIS3L2 gene. According to data obtained from the Ensembl Genome Browser, the two most prevalent populations for SNP rs55703767, which is linked to the COL4A3 gene, are in Africa, while SNP rs141560952, which is linked to the DIS3L2 gene, is most prevalent in Africa, the Americas, East Asia, Europe, and South Asia.

Formulation and The Hen's Egg Chorioallantoic Membrane (HET-CAM) Test to Predict Irritation Potential of FCEE and FCEA Facial Cleansing Gel

2026-03-28T02:16:38+00:00

Limau citrus (Citrus amblycarpa (Hassk.) Ochse) peel contains vitamin C, vitamin A, flavonoids, essential oils, coumarin, and rosmarinic acid derivatives. Due to its antioxidant and antibacterial properties, it can be used as an active ingredient in facial cleansers. This study examined the quality of FCEE and FCEA formulas for C. amblycarpa peels and their irritation potential. Citrus amblycarpa peel was macerated with 96% ethanol and partitioned successively with n-hexane and ethyl acetate. The facial cleansing gel formula used ethanol fraction (FCEE) and ethyl acetate fraction (FCEA), with concentrations of 0.20%, 0.35%, and 0.50%, respectively. The HET-CAM method was used to determine the potential irritation. The evaluation of the FCEE and FCEA formulas showed a greenish-brownish yellow color, a distinctive aroma of C. amblycarpa, and a soft texture. The pH values ranged from 5.66 to 6.27. All formulas were homogeneous, and the viscosity values were recorded in the range of 65.33 to 91.67 dPa.s. The foam stabilities ranged from 65.94 to 69.40%, and the formulas demonstrated effective cleaning ability. The results of the HET-CAM irritation test show that the irritation score of the positive control (SLS 30%) was 12.6 (strong irritation category), that of the negative control (water for injection), and that of all FCEE and FCEA facial cleansing gel formulas, which have an irritation score of 0 (no irritation category). The study presents quantitative and qualitative data in evaluating facial skin cleansers. These results demonstrate safe formulation.

Synthesis of 4-Hydroxycinnamic Acid from Malonic Acid and 4-Hydroxybenzaldehyde as Starting Materials with the Variation of the Reflux Time

2025-02-10T08:19:35+00:00

Cinnamic acid derivatives, naturally occurring compounds found in plants and also synthetically produced, exhibit diverse biological activities, including antioxidant, antiplasmodial, tyrosinase-inhibitory, antibacterial, anti-inflammatory, antitumor, and anticancer properties, with 4-hydroxycinnamic acid representing a particularly valuable derivative for pharmaceutical development. However, the successful synthesis of these compounds requires careful optimization of reaction conditions, particularly the reflux time, which must balance complete reactant conversion against product degradation that may occur with excessive heating to achieve maximum yield and purity. This study aimed to optimize the reaction yield in the synthesis of 4-hydroxycinnamic acid by varying the reflux time. 4-Hydroxycinnamic acid was synthesized via a reaction between malonic acid and 4-hydroxybenzaldehyde using pyridine-piperidine as a catalyst. The reflux time was varied at 3, 5, and 7 hours. The mixture was refluxed at 70–80°C with constant stirring at 900 rpm. After the reaction, the crude product was recrystallized and dried, and the yield was calculated. TLC was employed to compare the product's Rf value with that of the starting material using various eluents. Furthermore, the synthesized product was characterized by Fourier-Transform Infrared and Nuclear Magnetic Resonance spectroscopy to elucidate its structure. The results revealed that the average yields at reflux times of 3, 5, and 7 hours were 58.6, 66.78, and 63.87%, respectively, with the optimal yield achieved at 5 hours. Physicochemical and spectral data confirmed that the obtained product was 4-hydroxycinnamic acid. Purity analysis showed that the synthesized compound had a purity level of 95%.

Optimization of ADMET Properties Prediction for Remdesivir, Favipiravir, and their Metabolites Elimination Profiles

2026-03-28T02:46:04+00:00

In silico methods have become crucial for the rapid preliminary assessment of drug compound absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties, particularly for vital antivirals such as remdesivir and favipiravir, early in the drug development process. This study aimed to predict the pharmacokinetic profiles of remdesivir, favipiravir, and their respective metabolites, explicitly focusing on their interactions within the unique anatomy and physiology of human elimination organs. Compound summaries from PubChem were computationally analyzed using the pkCSM, ProTox-II, and ADMETLab 3.0 platforms. These predictions were then critically evaluated in the context of established hepatic and renal elimination mechanisms. Favipiravir and its metabolites generally exhibited a favorable ADMET profile, characterized by good oral absorption, wide distribution, efficient metabolism, and rapid excretion, albeit with a slight potential for blood-brain barrier penetration. In contrast, remdesivir, its nucleotide metabolite, and favipiravir showed the highest predicted likelihood of inducing hepatotoxicity. Concerning renal toxicity, remdesivir, remdesivir monophosphate, and the active triphosphate forms of both remdesivir and favipiravir presented a notable risk. This elevated renal risk was primarily attributed to their predicted low renal clearances, potentially resulting from insufficient penetration across the negatively charged glomerular filtration barrier. In conclusion, favipiravir and its metabolites demonstrated a more desirable ADMET profile than remdesivir. These preliminary findings suggest a differential safety and pharmacokinetic landscape between the two antiviral agents. Future research should prioritize leveraging advanced AI-based ADMET platforms to simulate complex human organ functions more accurately, refining these predictive models, and guiding subsequent in vivo investigations.

Molecular Docking and QSAR Analysis of N-(Ethylcarbamothioyl)benzamide Derivatives as Dual Estrogen-Alpha and Progesterone Receptors Inhibitor for Breast Cancer

2025-10-08T05:28:16+00:00

Luminal A subtype breast cancer is the most prevalent disease suffered by women, characterized by the presence of positive hormone receptors in the form of estrogen and progesterone. Thiourea derivatives have been shown to exhibit cytotoxicity against breast cancer cells in silico across multiple receptor targets. The purpose of this study was to determine the binding energy and QSAR equation of N-(Ethylcarbamothioyl)benzamide derivatives in silico. Molecular docking of the compounds was performed using AutoDockTools-1.5.7 with estrogen-α (PDB ID: 3ERT) and progesterone (PDB ID: 2OVM) receptor targets. The results showed that the compound 4-(benzyloxy)-N-(ethylcarbamothioyl)benzamide had the smallest free energy of binding (∆G) and K_i on estrogen-α and progesterone receptor of -7.13 kcal/mol and 5.96 μM and -8.04 kcal/mol and 1.27 μM, respectively. The best QSAR equation for estrogen-α receptor is ∆G = 0.465 (LogP)² - 2.276 logP + 0.311 E_LUMO - 0.091 MR + 5.075 (R = 0.914, α <0.001, F = 16.595 and SE = 0.41331) and progesterone receptor is ∆G = -0.058 (LogP)² - 0.033 tPSA + 0.011 E_tot - 0.08 MR + 1.683 (R = 0.92, α <0.001, F = 18.028 and SE = 0.37388). The QSAR equation is statistically significant if the R-squared value approaches 1, significance (α <0.05), F_count > F_table, and the smallest standard deviation (s). The predicted physicochemical properties that influence cytotoxic activity at the estrogen-α receptor are lipophilic (logP), electronic (E_LUMO), and steric (MR). In contrast, those at the progesterone receptor are lipophilic (tPSA), electronic (E_tot), and steric (MR).

Molecular Docking and In Silico Evaluation of Beluntas (Pluchea indica) Phytochemicals as Potential Angiotensin-Converting Enzyme Inhibitors for Hypertension Treatment

2025-10-26T14:39:08+00:00

Hypertension remains a major global health concern due to its high prevalence and strong association with cardiovascular diseases and kidney failure. A key component of blood pressure regulation is the Angiotensin-Converting Enzyme (ACE), which catalyzes the conversion of Angiotensin I into the vasoconstrictor Angiotensin II, making it a primary target for antihypertensive drugs. Although synthetic ACE inhibitors such as ramiprilat are effective, their use is often associated with adverse effects, highlighting the need for safer alternatives. This study employs molecular docking and in silico analysis to evaluate the potential of phytochemicals from beluntas (Pluchea indica) as natural ACE inhibitors. A total of 110 phytoconstituents were screened for pharmacokinetic properties using ADMET analysis, leading to the selection of 20 ligands for docking simulations. Among these, 4,5-di-O-caffeoylquinic acid exhibited the highest binding affinity (-9.409 kcal/mol), followed by di-O-caffeoylquinic acid (-8.984 kcal/mol) and quercetin-3-O-β-D-galactopyranoside (-8.372 kcal/mol). These compounds demonstrated stronger binding affinities than the ACE natural substrate, Angiotensin I (-7.133 kcal/mol), and the ACE inhibitor, ramiprilat (-8.717 kcal/mol), suggesting their potential as competitive ACE inhibitors. The binding interactions of these compounds were characterized by hydrogen bonding with key catalytic residues (HIS368, GLU368), electrostatic stabilization, and hydrophobic interactions within the enzyme active site. Notably, caffeoylquinic acid derivatives closely mimicked the binding mode of ramiprilat, whereas quercetin glycosides exhibited a distinct interaction pattern, indicating a possible alternative inhibitory mechanism. These findings provide evidence supporting the potential of P. indica phytochemicals as natural ACE inhibitors and warrant further investigation into their therapeutic applications in hypertension management.

Evaluation of Antioxidant Potential and Phytochemical Composition of Carrageenan Extracts from Nine Edible Seaweed Species

2024-11-01T06:44:00+00:00

Seaweeds have become a subject of interest due to their dual role, not only in providing functional attributes, such as gelling, thickening, and stabilizing in food products, but also for their potential antioxidant properties. Currently, a growing body of research supports the idea that supplementation with antioxidants is a valuable approach in preventing oxidative stress, which can lead to cancer, diabetes, cardiovascular, and neurological diseases, where free radicals are implicated. This study aimed to determine the antioxidant activity and phytochemical composition of carrageenan extracts from nine algae collected from the Western Visayas region. Antioxidant activity was evaluated by testing against 1,1-diphenyl-2-picryl-hydrazyl (DPPH), and the analysis of phytochemical composition was conducted using thin-layer chromatography. It was found that eight of the nine algal extracts exhibited antioxidant activity. The most active extracts were observed in S. crassifolium (IC₅₀ = 559 μg/mL), followed by S. moniliformis (IC₅₀ = 573 μg/mL) and E. muricatum (IC₅₀ = 629 μg/mL), with no significant difference from the positive control. The abundance of flavonoids, phenols, alkaloids, saponins, tannins, steroids, essential oils, and phenolic compounds was observed in all the extracts, indicating significant antioxidant activity. These findings imply that the integration of natural antioxidants from algae as a dietary supplement could prove beneficial in mitigating oxidative stress, thus holding significance in a wide array of disease prevention strategies, such as cancer, diabetes, cardiovascular diseases, and neurological disorders, all of which are intricately linked to the role of free radicals.