Browsing by Author "Opio, Moses"

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    Deciphering the molecular mechanism of aloe-emodin in managing type II diabetes mellitus using network pharmacology, molecular docking, and molecular dynamics simulation approaches.
    (Springer Nature, 2025) Obakiro, Samuel Baker; Kiyimba, Kenedy; Gavamukulya, Yahaya; Maseruka, Richard; Nabitandikwa, Catherine; Kibuuka, Ronald; Lulenzi, Jalia; Lukwago, Tonny Wotoyitide; Chebijira, Mercy; Opio, Moses; Tracy, Edeya Sharon; Kibuule, Dan; Oriko, Richard Owor; Waako, Paul; Makaye, Angela; Shadrack, Daniel M.; Andima, Moses
    Aloe-emodin (AE) has drawn interest due to its potential activity against type II diabetes mellitus (T2DM). However, the mechanisms underlying its antidiabetic activity are not well explored. Using network pharmacology, molecular docking and molecular dynamics simulation studies, we investigated its molecular mechanisms in the management of T2DM. Potential target genes of AE were predicted using the Swiss Target Prediction (http://www.swisstargetprediction.ch/) database. The GeneCards, OMIM and DisGeNET databases were used to compile a comprehensive list of genes associated with T2DM. A compound-disease-target network was constructed, and protein–protein interaction networks were analysed to identify hub genes. Finally, molecular docking and interaction analysis between AE and the identified proteins were performed using AutoDock tools. Investigation of AE targets and genes associated with T2DM identified 32 overlapping genes. Gene ontology studies revealed that AE may exert its anti-diabetic effects by modulating glucose metabolism and enhancing cellular response to glucose. Furthermore, KEGG pathway analysis suggested that AE influences these processes by targeting pathways related to apoptosis, insulin resistance, and T2DM signaling. The core target proteins identified were TNF, ALB, TP53, PPARG, BCL2, CASP3, and EGFR. AE interaction with each of these proteins exhibited a binding energy of>−5 kcal/mol, with TNF showing the lowest binding energy (−7.75 kcal/mol). Molecular dynamics simulation further validated the molecular docking results with TNF and EGFR exhibiting a strong affinity for AE and forming stable interactions. AE exerts its antidiabetic activity through multiple mechanisms, with the most significant being the amelioration of pancreatic β-cell apoptosis by binding to and inhibiting the actions of TNFα. Further cellular and molecular studies are needed to validate these findings. Keywords Aloe emodin · Type II diabetes mellitus · Network pharmacology · Molecular docking In Silico Pharmacology (2025) 13:45
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    In vitro antiplasmodial activity, acute toxicity and phytochemical quantification of selected medicinal plants used for the management of uncomplicated malaria in eastern Uganda.
    (Elsevier Ltd., 2025) Obakiro, Samuel Baker; Nabitandikwa, Catherine; Kiyimba, Kenedy; Ocan, Moses; Gavamukulya, Yahaya; Andima, Moses; Lukwago, Tonny Wotoyitide; Maseruka, Richard; Chebijira, Mercy; Opio, Moses; Hokello, Joseph Francis; Kibuule, Dan; Nabatanzi, Alice; Orena, Stephen; Waako, Paul; Owor, Richard Oriko
    Ethnopharmacological relevance The emergence of artemisinin resistance and limited antimalarial drug access in Uganda has increased reliance on herbal medicines as complementary and alternative therapies. Indigenous use of Albizia coriaria, Zanthoxylum chalybeum, Entada abyssinica, Maytenus senegalensis, and Kigelia Africana for malaria treatment is widespread but scientific evidence of their efficacy and safety was limited. Aim of the study This study aimed to validate the traditional antimalarial use of the five medicinal plants by evaluating their phytochemical composition, acute toxicity, and in vitro antiplasmodial activity against chloroquine-sensitive (3D7), chloroquine-resistant (Dd2) and clinical P. falciparum isolates. Materials and methods Phytochemical screening and quantification was conducted on 70 % hydroethanolic extracts from dried plant samples using UV–Vis spectrophotometry. The acute oral toxicity testing was conducted in Wistar albino rats using OECD 423 limit dose test. The antiplasmodial efficacy was evaluated using a 72-h SYBR Green assay on Plasmodium falciparum laboratory strains (3D7, Dd2) and clinical isolates. Results Alkaloids, flavonoids, tannins, and terpenoids were present in all the plant samples in varying quantities. Z. chalybeum was the most potent extract (IC50 0.81–1.28 μg/ml), followed by A. coriaria and E. abyssinica (IC50 10–50 μg/ml). M. senegalensis showed weak activity while K. africana was largely inactive (IC50 > 100 μg/ml). A. coriaria and M. senegalensis showed moderate acute toxicity (LD50 < 2000 mg/kg), while the other extracts showed no severe signs of acute toxicity in Wistar albino rats (LD50 > 2000 mg/kg). Conclusion Zanthoxylum chalybeum, Albizia coriaria and Entada abyssinica demonstrated promising antiplasmodial activity that supports their traditional use in management of malaria. However, more efficacy studies using in vivo models, sub-chronic and chronic toxicity studies particularly on A. coriaria and advanced phytochemical profiling are needed to delineate their therapeutic potential before being prioritized for development of standardized herbal remedies and novel antimalarial drugs.
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    In vitro antiplasmodial activity, acute toxicity and phytochemical quantification of selected medicinal plants used in symptomatic management of malaria in eastern Uganda.
    (Elsevier Ltd., 2025) Obakiroa, Samuel Baker; Nabitandikwa, Catherine; Kiyimba, Kenedy; Ocan, Moses; Gavamukulya, Yahaya; Andima, Moses; Lukwago, Tonny Wotoyitide; Maseruka, Richard; Mercy, Chebijira; Opio, Moses; Hokello, Joseph; Kibuule, Dan; Nabatanzi, Alice; Orenah, Stephen; Waako, Paul; Owor, Oriko Richard
    Ethnopharmacological relevance: The emergence of artemisinin resistance alongside limited antimalarial access in Uganda has intensified the use of herbal medicines as complementary and alternative therapies. Whereas there is widespread indigenous use of Zanthoxylum chalybeum, Albizia coriaria, Entada abyssinica, Maytenus senegalensis, and Kigelia Africana in treatment of malaria, there was limited scientific evidence of efficacy and safety. Aim of the study: This study assessed the in vitro antiplasmodial activity, acute toxicity, and phytochemical composition of the five plants so as to identify alternative sources of antimalarial drugs. Materials and methods: Phytochemical screening and quantification was conducted on ethanolic extracts from dried samples using UV-Vis spectrophotometry. The acute toxicity testing was conducted in Wistar albino rats using limit dose test and the antiplasmodial efficacy evaluated using a 72-hour SYBR Green assay on Plasmodium falciparum laboratory and clinical isolates. Results: Alkaloids, flavonoids, tannins, and terpenoids were present in all the samples. Z. chalybeum was the most potent, with IC50 values as low as 0.90 and 1.54 µg/ml against both chloroquine-sensitive (3D7) and resistant (Dd2) strains respectively. Albizia coriaria and Entada abyssinica also displayed moderate activity, with IC50s ranging from 30.26 to 101.26 µg/ml. Acute toxicity studies indicated that most extracts were relatively safe in Wistar albino rats, except for A. coriaria and M. senegalensis, which were moderately toxic with median lethal less than 2000mg/kg. Conclusion: Z. chalybeum, A. coriaria and E. abyssinica are promising medicinal plants for developing novel and effective antimalarial drugs, especially against drug-resistant strains that warrant more phytochemical and pharmacological studies. Keywords: Medicinal plants, Malaria, Antiplasmodial activity, Phytochemicals, Drug resistance
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    Unraveling the therapeutic potential of tephrosia linearis : anti-inflammatory, analgesic activity, and molecular docking approaches.
    (Elsevier Ltd, 2025) Opio, Moses; Kiyimba, Kenedy; Nabitandikwa, Catherine; Maseruka, Richard; Wotoyitidde, Tony Lukwago; Andima, Moses; Chebijira, Mercy; Edeya, Sharon Tracy; Nabatanzi, Alice; Gavamukulya, Yahaya; Kibuule, Dan; Waako, Paul; Owor, Richard Oriko; Obakiro, Samuel Baker
    Background Inflammatory diseases such as arthritis affect over 300 million people globally. The current treatment mainly involves the use of Non-Steroidal Anti-inflammatory drugs (NSAIDS) which possess several adverse drug reactions that are sometimes life threatening. This has prompted many patients to gain interest in plant-based remedies. Tephrosia linearis (Willd.) Pers (Fabaceae) is widely used in Uganda to manage symptoms of inflammation. However, there was a paucity of information concerning its analgesic and anti-inflammatory activities. This study investigated the anti-inflammatory, analgesic, and acute toxicity effects of ethanolic extracts from the aerial parts of Tephrosia linearis in Wistar albino rats. Methods Plant samples were collected from Katakwi District, Eastern Uganda and extracted using 70 % ethanol. Quantitative phytochemical analysis was conducted using UV/Vis spectroscopy. Acute toxicity was assessed using Lorke’s method, while analgesic and anti-inflammatory activities were evaluated through Complete Freud’s Adjuvant-induced arthritis model. Three doses of T. linearis (200, 400, and 800 mg/kg) were compared with a control group receiving 20 mg/kg of diclofenac. Three marker compounds were assessed using in silico modeling to predict their pharmacokinetic properties, organ toxicity, and binding energy against selected protein targets involved in inflammation. Results The ethanolic extract contained significant concentrations of flavonoids (82.9 ± 0.1 mg/g), tannins (140.2 ± 0.9 mg/g), alkaloids (93.4 ± 1.0 mg/g), and triterpenoids (76.1 ± 1.5 mg/g). No toxic effects were observed at doses below 2000 mg/kg, with an estimated LD50 of 2692 mg/kg. The extract exhibited a non-dose dependent analgesic and anti-inflammatory activities that were significantly lower than that of diclofenac (p < 0.05). Molecular docking revealed strong binding affinities for apigenin, luteolin, and velutin with COX2, PLA2, and TNFα. Conclusion This study supports T. linearis as a safe herbal remedy for managing inflammation, suggesting further optimization through active ingredient isolation for enhanced therapeutic outcomes.