Amine Batbat^1,2, Mohamed El Fadili³, Naoufal El Hachlafi^4,*, Amine Elbouzidi^5,*, Chaymae Hmimen⁶, Hiba Yahyaoui^2,7, 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 >

Samiah Hamad Al-Mijalli¹, Hanae Naceiri Mrabti², Amine Elbouzidi^3,*, Naglaa S. Ashmawy^4,5, 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 >

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 >

MUNEEBA MALIK¹, MAMOONA MAQBOOL², TOOBA NISAR³, TAZEEM AKHTER⁴, JAVED AHMED UJAN^5,6, ALANOOD S. ALGARNI⁷, FAKHRIA A. AL JOUFI⁸, SULTAN SHAFI K. ALANAZI⁹, MOHAMMAD HADI ALMOTARED¹⁰, MOUNIR M. SALEM BEKHIT¹¹, MUHAMMAD JAMIL^12,*

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 >

Mehdi Hassan^1,2, Safdar Ali³, Jin Young Kim^2,*, 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 >

Hafiza Arooj Razzaq¹, Siddra Ijaz^1,*, 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 >

SEUNGHYUN AHN¹, JUNG-YEON LEE¹, JIHA SUNG^1,2, HYUN JOO KIM³, SEYEON PARK^1,2,*

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 >

Oliver Tusevski^1,*, Marija Todorovska¹, Jasmina Petreska Stanoeva², Marina Stefova², Sonja Gadzovska Simic¹

Phyton-International Journal of Experimental Botany, Vol.92, No.3, pp. 921-941, 2023, DOI:10.32604/phyton.2023.024995 - 29 November 2022

Abstract Three Hypericum perforatum hairy root lines (HR B, HR F and HR H) along with non-transformed roots were analyzed for phenolic compounds composition and in vitro enzyme inhibitory properties. In silico molecular modeling was performed to predict the interactions of the most representative phenolic compounds in HR clones with enzymes related to depression, neurodegeneration and diabetes. Chromatographic analyses revealed that HR clones represent an efficient source of quinic acid and hydroxybenzoic acids, epicatechin and procyanidin derivatives, quercetin and kaempferol glycosides, as well numerous xanthones. In vitro antidepressant activity of HR extracts through monoamine oxidase A (MAO-A) inhibition was attributed… More >

Rachele Allena^1,*, Denis Aubry²

Molecular & Cellular Biomechanics, Vol.19, No.1, pp. 1-16, 2022, DOI:10.32604/mcb.2022.018958 - 12 January 2022

Abstract Cells adapt to their environment and stimuli of different origin. During confined migration through sub-cellular and sub-nuclear pores, they can undergo large strains and the nucleus, the most voluminous and the stiffest organelle, plays a critical role. Recently, patterned microfluidic devices have been employed to analyze the cell mechanical behavior and the nucleus self-deformations. In this paper, we present an in silico model to simulate the interactions between the cell and the underneath microstructured substrate under the effect of the sole gravity. The model lays on mechanical features only and it has the potential to assess… More >

KATARINA BARALIć^1,*, KATARINA ŽIVANčEVIć¹, DRAGICA BoŽIĆ¹, DANYEL JENNEN², ALEKSANDRA BUHA DJORDJEVIC¹, EVICA ANTONIJEVIć MILJAKOVIć¹, DANIJELA ĐUKIć-ĆOSIć¹

BIOCELL, Vol.46, No.2, pp. 519-533, 2022, DOI:10.32604/biocell.2022.018271 - 20 October 2021

Abstract This in silico toxicogenomic study aims to explore the relationship between phthalates and bisphenol A (BPA) co-exposure and obesity, as well as its comorbid conditions, in order to construct a possible set of genomic biomarkers. The Comparative Toxicogenomics Database (CTD; http://ctd.mdibl.org) was used as the main data mining tool, along with GeneMania (https://genemania.org), ToppGene Suite (https://toppgene.cchmc.org) and DisGeNET (http://www.disgenet.org). Among the phthalates, bis(2-ethylhexyl) phthalate (DEHP) and dibutyl phthalate (DBP) were chosen as the most frequently curated phthalates in CTD, which also share similar mechanisms of toxicity. DEHP, DBP and BPA interacted with 84, 90 and 194… More >