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  • Open Access

    ARTICLE

    Bioactive Potential of Calophyllum inophyllum: Phytochemical Profiles, Biological Activities, and In Silico Pharmacokinetic Predictions

    Luksamee Vittaya1,*, Chakhriya Chalad1, Sittichoke Janyong2, Nararak Leesakul3

    Phyton-International Journal of Experimental Botany, Vol.94, No.12, pp. 4091-4115, 2025, DOI:10.32604/phyton.2025.074891 - 29 December 2025

    Abstract Calophyllum inophyllum is a tropical plant that could have useful medicinal properties for pharmaceutical and cosmetic applications. The present study extracted the flower, fruit, leaf, twig, and bark of the plant by maceration in different organic solvents. The correlation between bioactive compounds and their biological activities was investigated, with emphasis on their therapeutic relevance through in silico pharmacokinetic predictions using SwissADME. Qualitative and quantitative analyses were conducted to determine the total phenolic, flavonoid, and saponin contents of the extracts. Spectral analysis of the extracts revealed –OH, C=O, C=C, and C–H functional groups. The antioxidant activity of the… More > Graphic Abstract

    Bioactive Potential of <i>Calophyllum inophyllum</i>: Phytochemical Profiles, Biological Activities, and <i>In Silico</i> Pharmacokinetic Predictions

  • Open Access

    ARTICLE

    Valorisation of Northern Moroccan Centaurium erythraea: Targeted Phytochemistry, Antioxidant, Antimicrobial Efficacy and Drug Likeness Benchmarking

    Yousra Hammouti1,2,*, François Mesnard2, Oussama Khibech3, Mohamed Taibi1, Yousra Belbachir3, El Hassania Loukili4, Reda Bellaouchi5, Abdeslam Asehraou5, Mohamed Addi1,*

    Phyton-International Journal of Experimental Botany, Vol.94, No.11, pp. 3563-3583, 2025, DOI:10.32604/phyton.2025.071139 - 01 December 2025

    Abstract Centaurium erythraea Rafn (“Gosset El Haya”) has long been prized in North African folk medicine, yet Moroccan chemobiological data remain scarce. Ethanol extracts of northern Moroccan aerial parts were profiled by high-performance liquid chromatography (HPLC) and found rich in phenolics, dominated by 4-hydroxybenzoic acid (57.8%) and naringin (10.3%). The extract exhibited strong antioxidant power in the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical-scavenging assay, with a half-maximal inhibitory concentration (IC50) of ≈74 µg mL−1, and a total antioxidant capacity (TAC) of ≈201 µg mL−1 and selective antimicrobial activity, sharply inhibiting Aspergillus niger, Penicillium digitatum, and Rhodotorula glutinis while sparing Staphylococcus aureus. In-silico absorption, distribution, metabolism,… More >

  • Open Access

    ARTICLE

    Hypoglycemic Lignans from Amomum tsao-ko Leaves: Their α-Glucosidase Inhibitory Mechanism Integrated In Silico and In Vivo Validation

    Yun Wang1,2,#, Xin-Yu Li1,3,#, Sheng-Li Wu1,3, Pianchou Gongpan1, Da-Hong Li2, Chang-An Geng1,3,*

    Phyton-International Journal of Experimental Botany, Vol.94, No.8, pp. 2563-2574, 2025, DOI:10.32604/phyton.2025.068185 - 29 August 2025

    Abstract Twelve lignans (1–12) isolated from Amomum tsao-ko leaves were evaluated for the inhibitory effects against α-glucosidase and PTP1B. Compounds 1−4 and 10 showed inhibition on α-glucosidase with inhibitory ratios ranging from 53.8% to 90.0%, while compound 10 demonstrated 56.1% inhibition on PTP1B at 200 μM. Notably, erythro-5-methoxy-dadahol A (2) and threo-5-methoxy-dadahol A (3) displayed obvious inhibition on α-glucosidase with IC50 values of 33.3 μM and 22.1 μM, significantly outperforming acarbose (IC50 = 344.0 μM). Kinetic study revealed that compound 3 maintained a mixed-type mode, engaging with both free enzyme and enzyme-substrate complex via non-competitive and uncompetitive mechanisms. Molecular docking simulations further clarified its More >

  • Open Access

    ARTICLE

    GC-MS Profiling, In Vitro and In Silico Antibacterial and Antioxidant Potential of Origanum elongatum Essential Oil: Novel Source against Phytopathogenic Bacteria

    Amine Batbat1,2, Mohamed El Fadili3, Naoufal El Hachlafi4,*, Amine Elbouzidi5,*, Chaymae Hmimen6, Hiba Yahyaoui2,7, Samir Jeddi6, Abdellatif Benbouazza2, Kawtar Fikri-Benbrahim6, Mohamed Addi5, Samiah Hamad Al-Mijalli8, Khaoula Habbadi2, Hassane Greche1

    Phyton-International Journal of Experimental Botany, Vol.94, No.2, pp. 481-501, 2025, DOI:10.32604/phyton.2025.059841 - 06 March 2025

    Abstract This study highlights the regulatory potential antibacterial and antiradical of Origanum elongatum essential oil (EO), an endemic medicinal plant of Morocco used for its various properties. The chemical composition of the EO was characterized using gas chromatography-mass spectrometry (GC-MS). The antibacterial activity against different agricultural phytopathogens was determined by disc diffusion and microatmosphere methods, as well as by the determination of minimum inhibitory concentrations (MIC) and minimum bactericidal concentration (MBC), while the antioxidant activity was evaluated by DPPH and FRAP assays. To complement the experimental analyses, a molecular docking approach was used to predict and elucidate… More >

  • Open Access

    ARTICLE

    Thymus serpyllum L. Essential Oil: Phytochemistry and in Vitro and in Silico Screening of Its Antimicrobial, Antioxidant and Anti-Inflammatory Properties

    Samiah Hamad Al-Mijalli1, Hanae Naceiri Mrabti2, Amine Elbouzidi3,*, Naglaa S. Ashmawy4,5, Amine Batbat6, Emad M. Abdallah7, Wafa Laaboudi8, Mohammed Aladhadh9, Fahad M. Alshabrmi10, Sulaiman Mohammed Alnasser11, Mohamed Addi3, Naoufal El Hachlafi12

    Phyton-International Journal of Experimental Botany, Vol.94, No.1, pp. 209-227, 2025, DOI:10.32604/phyton.2025.060438 - 24 January 2025

    Abstract Thymus serpyllum L., often known as wild thyme, has been used since ancient times due to its multifaceted culinary and medicinal attributes. It is usually utilized in folk medicine to manage different health issues. This work aimed to investigate the chemical composition and biological characteristics of T. serpyllum essential oil (EO), including its antimicrobial, antioxidant, and anti-inflammatory capabilities. Moreover, we have prompted an in-silico simulation to reveal the underlying mode of action of these properties. The chemical characterization of T. serpyllum (EO) by Gas Chromatography-Mass Spectrometry (GC-MS) indicated sabinene (17.33%), terpinen-4-ol (11.73%), phellandral (13.18%), and thymol (10.54%) as main… More >

  • Open Access

    ARTICLE

    Genome-Wide Identification of ALDH Gene Family under Salt and Drought Stress in Phaseolus vulgaris

    Abdil Hakan Eren*

    Phyton-International Journal of Experimental Botany, Vol.93, No.11, pp. 2883-2907, 2024, DOI:10.32604/phyton.2024.058627 - 30 November 2024

    Abstract Background: Aldehyde dehydrogenase (ALDH) genes constitute an important family of supergenes that play key roles in synthesizing various biomolecules and maintaining cellular homeostasis by catalyzing the oxidation of aldehyde products. With climate change increasing the exposure of plants to abiotic stresses such as salt and drought, ALDH genes have been identified as important contributors to stress tolerance. In particular, they help to reduce stress-induced lipid peroxidation. Objectives: This study aims to identify and characterize members of the ALDH supergene family in Phaseolus vulgaris through a genome-wide bioinformatic analysis and investigate their role in response to abiotic stressors such… More >

  • Open Access

    ARTICLE

    Deciphering key genes involved in cisplatin resistance in kidney renal clear cell carcinoma through a combined in silico and in vitro approach

    MUNEEBA MALIK1, MAMOONA MAQBOOL2, TOOBA NISAR3, TAZEEM AKHTER4, JAVED AHMED UJAN5,6, ALANOOD S. ALGARNI7, FAKHRIA A. AL JOUFI8, SULTAN SHAFI K. ALANAZI9, MOHAMMAD HADI ALMOTARED10, MOUNIR M. SALEM BEKHIT11, MUHAMMAD JAMIL12,*

    Oncology Research, Vol.31, No.6, pp. 899-916, 2023, DOI:10.32604/or.2023.030760 - 15 September 2023

    Abstract The low survival rate of Kidney renal clear cell carcinoma (KIRC) patients is largely attributed to cisplatin resistance. Rather than focusing solely on individual proteins, exploring protein-protein interactions could offer greater insight into drug resistance. To this end, a series of in silico and in vitro experiments were conducted to identify hub genes in the intricate network of cisplatin resistance-related genes in KIRC chemotherapy. The genes involved in cisplatin resistance across KIRC were retrieved from the National Center for Biotechnology Information (NCBI) database using search terms as “Kidney renal clear cell carcinoma” and “Cisplatin resistance”. The genes… More >

  • Open Access

    ARTICLE

    Developing a Breast Cancer Resistance Protein Substrate Prediction System Using Deep Features and LDA

    Mehdi Hassan1,2, Safdar Ali3, Jin Young Kim2,*, Muhammad Sanaullah4, Hani Alquhayz5, Khushbakht Safdar6

    CMC-Computers, Materials & Continua, Vol.76, No.2, pp. 1643-1663, 2023, DOI:10.32604/cmc.2023.038578 - 30 August 2023

    Abstract Breast cancer resistance protein (BCRP) is an important resistance protein that significantly impacts anticancer drug discovery, treatment, and rehabilitation. Early identification of BCRP substrates is quite a challenging task. This study aims to predict early substrate structure, which can help to optimize anticancer drug development and clinical diagnosis. For this study, a novel intelligent approach-based methodology is developed by modifying the ResNet101 model using transfer learning (TL) for automatic deep feature (DF) extraction followed by classification with linear discriminant analysis algorithm (TLRNDF-LDA). This study utilized structural fingerprints, which are exploited by DF contrary to conventional More >

  • Open Access

    ARTICLE

    In silico Prediction and Analysis of Potential Off-Targets and Off-Target Mutation Detection in StERF3-Gene Edited Potato Plants

    Hafiza Arooj Razzaq1, Siddra Ijaz1,*, Imran Ul Haq2, Faisal Saeed Awan1

    Phyton-International Journal of Experimental Botany, Vol.92, No.8, pp. 2451-2460, 2023, DOI:10.32604/phyton.2023.030501 - 25 June 2023

    Abstract The imperative aspect of the CRISPR/Cas9 system is a short stretch of 20 nucleotides of gRNA that control the overall specificity. Due to the small size, the chance of its multiple occurrences in the genome increases; however, a few mismatches are tolerated by the Cas9 endonuclease activity. An accurate and careful in silico-based off-target prediction while target selection is preferred to address the issue. These predictions are based on a comprehensive set of selectable parameters. Therefore, we investigated the possible off-target prediction and their screening in StERF3 gene-edited potato plants while developing StERF3-loss-of-function mutants using CRISPR/Cas9 More >

  • Open Access

    ARTICLE

    Comparative studies on the binding site of anesthetics to GABA a receptors using in silico docking methods

    SEUNGHYUN AHN1, JUNG-YEON LEE1, JIHA SUNG1,2, HYUN JOO KIM3, SEYEON PARK1,2,*

    BIOCELL, Vol.47, No.7, pp. 1661-1673, 2023, DOI:10.32604/biocell.2023.027984 - 21 June 2023

    Abstract Background: Although the GABAA receptor (GABAAR) has been proposed as the main action site for sevoflurane, isoflurane, halothane, enflurane, propofol, and benzodiazepines (BZDs), binding of these anesthetics with high-resolution structures of the GABAAR have been rarely examined by comparative docking analyses. Moreover, various combinations of ligands on more GABAARs with various subtypes need to be analyzed to understand the elaborate action mechanism of GABAARs better because some GABAA ligands showed specificity toward the distinct subtypes of the GABAAR. Methods: We performed in silico docking analysis to compare the binding modes of sevoflurane, isoflurane, halothane, enflurane, propofol,… More >

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