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747 results on '"Bourhia, Mohammed"'

1. Predictive Modeling for Breast Cancer Classification in the Context of Bangladeshi Patients: A Supervised Machine Learning Approach with Explainable AI

Author

Islam, Taminul, Sheakh, Md. Alif, Tahosin, Mst. Sazia, Hena, Most. Hasna, Akash, Shopnil, Jardan, Yousef A. Bin, Wondmie, Gezahign Fentahun, Nafidi, Hiba-Allah, and Bourhia, Mohammed

Subjects
Computer Science - Machine Learning, Computer Science - Artificial Intelligence, Computer Science - Computer Vision and Pattern Recognition
Abstract

Breast cancer has rapidly increased in prevalence in recent years, making it one of the leading causes of mortality worldwide. Among all cancers, it is by far the most common. Diagnosing this illness manually requires significant time and expertise. Since detecting breast cancer is a time-consuming process, preventing its further spread can be aided by creating machine-based forecasts. Machine learning and Explainable AI are crucial in classification as they not only provide accurate predictions but also offer insights into how the model arrives at its decisions, aiding in the understanding and trustworthiness of the classification results. In this study, we evaluate and compare the classification accuracy, precision, recall, and F-1 scores of five different machine learning methods using a primary dataset (500 patients from Dhaka Medical College Hospital). Five different supervised machine learning techniques, including decision tree, random forest, logistic regression, naive bayes, and XGBoost, have been used to achieve optimal results on our dataset. Additionally, this study applied SHAP analysis to the XGBoost model to interpret the model's predictions and understand the impact of each feature on the model's output. We compared the accuracy with which several algorithms classified the data, as well as contrasted with other literature in this field. After final evaluation, this study found that XGBoost achieved the best model accuracy, which is 97%., Comment: Accepted for the Scientific Reports (Nature) journal. 32 pages, 12 figures

Published
2024

2. Exploring the hepatoprotective properties of citronellol: In vitro and in silico studies on ethanol-induced damage in HepG2 cells

Author

Malik Muhammad Nasir Hayat, Abid Iqra, Ismail Sana, Anjum Irfan, Qadir Halima, Maqbool Tahir, Najam Komal, Ibenmoussa Samir, Bourhia Mohammed, Salamatullah Ahmad Mohammad, and Wondmie Gezahign Fentahun

Subjects
citronellol, hepatoprotective, cell viability, hepg2 cell lines, Biology (General), QH301-705.5
Abstract

Citronellol (CT) is a monoterpene alcohol present in the essential oil of plants of the genus Cymbopogon and exhibits diverse pharmacological activities. The aim of the current study was to investigate the hepatoprotective potential of CT against ethanol-induced toxicity in HepG2 cell lines. Silymarin (SIL) was used as a standard drug. MTT, crystal violet assay, DAPI, and PI staining were carried out to assess the effect of ethanol and CT on cell viability. RT-PCR determined the molecular mechanisms of hepatoprotective action of CT. CT ameliorated cell viability and restricted ethanol-induced cell death. DAPI and PI staining showed distinct differences in cell number and morphology. Less cell viability was observed in the diseased group obviously from strong PI staining when compared to the CT- and SIL-treated group. Moreover, CT showed downregulation of interleukin (IL-6), transforming growth factor-beta 1 (TGF-β1), collagen type 1 A 1 (COL1A1), matrix metalloproteinase-1 (MMP-1), tissue inhibitor of metalloproteinase-1 (TIMP-1) and glutathione peroxidase-7 (GPX-7) levels. Molecular docking studies supported the biochemical findings. It is concluded that the cytoprotective activity of CT against ethanol-induced toxicity might be explained by its anti-inflammatory, immunomodulatory, and collagen-regulating effects.

Published
2024
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3. Unveiling the molecular composition and biological properties of essential oil derived from the leaves of wild Mentha aquatica L.: A comprehensive in vitro and in silico exploration

Author

Tourabi Meryem, Baghouz Asmae, Faiz Khaoula, El Ghouizi Asmae, Chebaibi Mohamed, Zbadi Latifa, Soulo Najoua, Ibenmoussa Samir, Salamatullah Ahmad Mohammad, Dauelbait Musaab, Bourhia Mohammed, Lyoussi Badiaa, and Derwich Elhoussine

Subjects
mentha aquatica l, essential oil, antioxidant activity, antimicrobial activity, insecticidal activity, in silico analysis, Chemistry, QD1-999
Abstract

The purpose of the current study is to assess the chemical profile, antioxidant, antimicrobial, and insecticide efficacy of essential oil derived from the leaf of Moroccan Mentha aquatica L. (MA-EO) using in vitro and in silico analysis. Using GC-MS/MS analysis, 18 components of MA-EO were identified, including linalool (42.42%), α-elemol (10.45%), α-terpineol (8.07%), linalyl acetate (7.37%), and caryophyllene (4.05%). Additionally, MA-EO has a strong antioxidant capacity with IC50 values of 0.64 ± 0.01 µg/mL using the DPPH assay and 0.167 ± 0.13 µg/mL using the ABTS test. Total antioxidant capacity activities were found to be 188.21 ± 0.31 mg EAA/g, while RP activities were 1.95 ± 0.023. The powerful antibacterial properties of MA-EO were proven to be effective against Escherichia coli and Candida albicans. MA-EO showed insecticidal potential using the fumigation experiment, with an LC50 of 3.33 μL/L in the air after 24 h of exposure. At a dose of 20 µL/mL, MA-EO reduced fertility, fecundity, and emergence of adult C. maculatus. MA-EO had 95% mortality at the same dosage. In silico analysis revealed that the antioxidant activity of MA-EO is linked to γ-eudesmol, while its antibacterial efficacy is associated with phenol, 2,4-di-tert-butyl-, and its antifungal capacity with phenol, 2,4-di-tert-butyl-. MA-EO demonstrates potent bactericidal, fungicidal, and bioinsecticide properties, making it effective for controlling bacteria, fungi, and insect pests in stored grains.

Published
2024
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4. Identification and in silico screening of natural phloroglucinols as potential PI3Kα inhibitors: A computational approach for drug discovery

Author

Siddique Farhan, Daoui Ossama, Ayoub Monisa, Elkhattabi Souad, Chtita Samir, Afzal Samina, Mohyuddin Abrar, Kaukab Iram, Ejaz Syeda Abida, Salamatullah Ahmad Mohammad, Ibenmoussa Samir, Wondmie Gezahign Fentahun, and Bourhia Mohammed

Subjects
breast cancer, phloroglucinols, dryopteris species, dft, molecular docking, molecular dynamics, Chemistry, QD1-999
Abstract

Breast cancer is the biggest cause of death among women worldwide. Natural chemicals from medicinal plants offer promise for cancer therapy. This research screens 29 Dryopteris species plant-derived chemicals, mostly phloroglucinols, for breast cancer therapy potential. First, we used Gaussian09 and DFT/B3LYP/6-311+G(d, p) calculations to evaluate compound stability and reactivity. We conducted molecular docking experiments to identify drugs with high binding affinity for the PI3Kα protein’s active pocket. DJ1–DJ22 were found to be the most effective PI3Kα inhibitors, with energies ranging from −8.0 to −9.2 kJ/mol. From in silico pharmacokinetic and bioactivity screening, DJ3, DJ7, and DJ18 were identified as promising PI3Kα inhibitors. PI3Kα backbone stability was tested in a water model using molecular dynamics simulations employing DJ3, DJ7, DJ18, and Trastuzumab as a pharmacological reference. Synthesis of target-hit DJ3, DJ7, and DJ18 derivatives may lead to breast cancer drug-like molecules for related cancers. The work uses in silico methods to find natural phloroglucinols for breast cancer therapy, enabling new chemotherapeutic drugs.

Published
2024
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12. Exploring the nuclear proteins, viral capsid protein, and early antigen protein using immunoinformatic and molecular modeling approaches to design a vaccine candidate against Epstein Barr virus

Author

Oladipo, Elijah Kolawole, Ojo, Taiwo Ooreoluwa, Elegbeleye, Oluwabamise Emmanuel, Bolaji, Olawale Quadri, Oyewole, Moyosoluwa Precious, Ogunlana, Abdeen Tunde, Olalekan, Emmanuel Obanijesu, Abiodun, Bamidele, Adediran, Daniel Adewole, Obideyi, Oluwaseun Adeola, Olufemi, Seun Elijah, Salamatullah, Ahmad Mohammad, Bourhia, Mohammed, Younous, Youssouf Ali, and Adelusi, Temitope Isaac

Published
2024
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20. Author Correction: Anticancer, antioxidant, and antibacterial activity of chemically fingerprinted extract from Cyclamen persicum Mill.

Author

Al‑Rimawi, Fuad, Khalid, Mahmoud, Salah, Zaidoun, Zawahreh, Malak A. A., Alnasser, Sulaiman Mohammed, Alshammari, Shifaa O., Wedian, Fadel, Karimulla, Shaik, Almutairi, Abdulrahman, Alanazi, Fadi Ibrahim B., Alanazi, Hamad Owijan, Al‑Mazaideh, Ghassab M., Nafidi, Hiba‑Allah, Salamatullah, Ahmad Mohammad, Mekonnen, Amare Bitew, and Bourhia, Mohammed

Published
2024
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34. Anticancer, antioxidant, and antibacterial activity of chemically fingerprinted extract from Cyclamen persicum Mill.

Author

Al-Rimawi, Fuad, Khalid, Mahmoud, Salah, Zaidoun, Zawahreh, Malak A. A., Alnasser, Sulaiman Mohammed, Alshammari, Shifaa O., Wedian, Fadel, Karimulla, Shaik, Almutairi, Abdulrahman, Alanazi, Fadi Ibrahim B., Alanazi, Hamad Owijan, Al-Mazaideh, Ghassab M., Nafidi, Hiba-Allah, Salamatullah, Ahmad Mohammad, Mekonnen, Amare Bitew, and Bourhia, Mohammed

Published
2024
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40. FMS-like tyrosine kinase 3 inhibitory potentials of some phytochemicals from anti-leukemic plants using computational chemical methodologies

Author

Umar Haruna Isiyaku, Ashimiyu-Abdusalam Zainab, Alaqarbeh Marwa, Magani Wanche Ernest, Victor Omoboyede, Omotosho-Sanni Rukayat Yetunde, Bello Ridwan Opeyemi, Jardan Yousef A. Bin, Ibenmoussa Samir, Bourhia Mohammed, Wondmie Gezahign Fentahun, and Bouachrine Mohammed

Subjects
acute myeloid leukemia, anti-leukemic plants, fms-like tyrosine kinase 3, molecular docking, molecular dynamics simulations, Chemistry, QD1-999
Abstract

Acute myeloid leukemia (AML) takes center stage as a highly prevalent and aggressive clonal disorder affecting hematological stem cells. FMS-like tyrosine kinase 3 (FLT3) mutations were prevalent in nearly 30% of the AML cases. However, efforts have led to the development of anti-mutant FLT3 drugs, such as midostaurin, gilteritinib, and quizartinib, to improve treatments. Currently, we are exploring the ability of compounds from anti-leukemic plants to be used in AML therapies, focusing on mutant FLT3 inhibition. Employing computational techniques such as drug-likeness assessment, molecular docking, pharmacokinetics properties profiling, molecular dynamics simulations (MDS), and free energy calculations, we identified 43 out of 57 compounds with oral drug potential. Notably, 7 out of 43 compounds, including flavopiridol, sanggenol Q, norwogonin, oblongixanthones A, oblongixanthones B, apigenin, and luteolin exhibited strong binding affinities ranging from −9.0 to −9.8 kcal/mol, surpassing the control drug gilteritinib (−6.3 kcal/mol). Notably, flavopiridol and norwogonin displayed highly favorable pharmacokinetics and low toxicity profiles. MDS confirmed the stability of their binding through parameters such as root mean square deviation, root mean square fluctuation, and radius of gyration (R g) over 100 ns simulations. Flavopiridol and norwogonin emerge as promising candidates for the development of mutant FLT3 inhibitors. Therefore, experimental studies are warranted to validate their therapeutic potential.

Published
2024
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42. Chemical composition and potential antioxidant, anti-inflammatory, and analgesic efficacy of Cistus albidus L.

Author

Zouhri Aziz, Bouddine Toufik, Menyiy Naoual El, El-Mernissi Yahya, Laaroussi Hassan, Chebaibi Mohamed, Amhamdi Hassan, Elharrak Abdelhay, Nafidi Hiba-Allah, Sitotaw Baye, Jardan Yousef A. Bin, Bourhia Mohammed, and Hajji Lhoussain

Subjects
cistus albidus l., polyphenols, analgesic activity, anti-inflammatory, antioxidant activity, Pharmaceutical industry, HD9665-9675
Abstract

This study aims to assess the chemical composition of the aqueous extract of Cistus albidus L. leaves, as well as the potential of aqueous and hydroethanol extracts of the leaves and seeds as analgesic, anti--inflammatory, and antioxidant agents. The contents of phenolics and inorganic constituents were determined in C. albidus seeds and leaves; antioxidant capacity was assessed by 3 complementary and diverse tests. The carrageenan-induced paw edema technique was used to investigate the anti-inflammatory effect in vivo, and albumin denaturation to evaluate the anti-inflammatory effect in vitro. The acetic acid-induced contortion test, the tail-flick test, and the plantar test were used to assess the analgesic effi cacy in vivo.

Published
2024
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43. Cannabis sativa L. essential oil: Chemical composition, anti-oxidant, anti-microbial properties, and acute toxicity: In vitro, in vivo, and in silico study

Author

El-Mernissi Rafik, El Menyiy Naoual, Moubachir Rania, Zouhri Aziz, El-Mernissi Yahya, Siddique Farhan, Nadeem Sumaira, Ibork Hind, El Barnossi Azeddin, Wondmie Gezahign Fentahun, Bourhia Mohammed, Bin Jardan Yousef A., Abboussi Oualid, and Hajji Lhoussain

Subjects
antimicrobial, antioxidant, cannabis sativa l., essential oils, gc-ms, toxicity, Chemistry, QD1-999
Abstract

This study evaluated the volatile components of Cannabis sativa L. essential oils (CSEOs) and their pharmacological potential in vitro, in animal, and in silico. The anti-oxidant capacities of volatile compounds were tested using 2,2-diphenyl-1-picrylhydrazyl (DPPH), ferric reducing antioxidant power (FRAP), total anti-oxidant capacity (TAC), and gas chromatography-mass spectrometry (GC-MS). Anti-microbial activity against bacterial and fungal strains was assessed using disk diffusion and micro-dilution, and acute toxicity was examined on mice using OECD 423 criteria. The results indicate that the main components were β-caryophyllene (31.54%), α-humulene (12.62%), β-myrcene (4.83%), and α-pinene (4.69%). The essential oil showed high anti-oxidant ability (IC50 = 0.981 ± 0.059 mg/ml for DPPH, EC50 = 1.74 ± 0.05 for FRAP), and TAC of 0.101 ± 0.001 mg AAE/g. Additionally, it showed significant antibacterial action against Gram-negative organisms, such as Escherichia coli (11.33 ± 0.00 mm), Klebsiella pneumonia (9 ± 0.00 mm), and Pseudomonas aeruginosa (9.34 ± 0.00), with MICs ranging from 0.0052 to 0.0208 mg/CSEO demonstrated antifungal activity against Candida albicans and Fusarium proliferatum, with activity levels of 18.66 ± 0.88 mm, 41.89 ± 3.60%, and MICs of 0.39 and 0.013 mg/ml, respectively. In toxicological studies, CSEO proved to be safe for animals. Docking identified bioactive components and explored anti-oxidant and antibacterial properties. Docking proved that bulnesol and champacol caused indicated actions.

Published
2024
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