Abstract The current work attempts to explore the influence of three extraction solvents on phytochemical composition, content polyphenols, antioxidant potential, and antibacterial capacity hydroethanolic, acetonic, aqueous extracts from Moroccan Mentha longifolia leaves. To achieve this goal, chemical composition was identified using an HPLC–DAD examination. contents polyphenols were assessed, while total (TAC), DPPH test, reducing power test (RP) utilized determine capacity. assess...

Abstract Generally wastewater such agricultural runoff is considered a nuisance; however, it could be harnessed as potential source of nutrients like nitrates and phosphates in integrated biorefinery context. In the current study, microalgae Chlorella sp. S5 was used for bioremediation leftover algal biomass production biofuels an The cultivated on Blue Green (BG 11) medium comprehensive optimization different parameters including phosphates, nitrates, pH carried out to acquire maximum...

The study was designed to explore the corrosion prevention capabilities of Citrullus colocynthis seeds alkaloid-rich extract (CSEA) on MS in a 1 M HCl environment by use electrochemical and theoretical methods. Notably, Electrochemical Impedance Spectroscopy (EIS) potentiodynamic polarization were used probe impact immersion time temperature. Energy-dispersive X-ray spectroscopy (EDX) spanning electron microscopy (SEM) confirm presence protective layer substrate surface. Density functional...

The pharmacological effects of limonene, especially their derivatives, are currently at the forefront research for drug development and discovery as well structure-based design using huge chemical libraries already widespread in early stages therapeutic development. Here, various limonene derivatives studied computationally potential utilization against capsid protein Herpes Simplex Virus-1. Firstly, were designed by structural modification followed conducting a molecular docking experiment...

Abstract This work examines the capacity of Naringin and Rutin to influence DNA damage response (DDR) pathway by investigating their interactions with key DDR proteins, including PARP-1, ATM, ATR, CHK1, WEE1. Through a combination in silico molecular docking vitro evaluations, we investigated cytotoxic genotoxic effects these compounds on MDA-MB-231 cells, comparing them normal human fibroblast cells (2DD) quiescent (QFC). The research found that had strong affinities for indicating...

Abstract This study evaluated the volatile components of Cannabis sativa L. essential oils (CSEOs) and their pharmacological potential in vitro , animal, silico . The anti-oxidant capacities compounds were tested using 2,2-diphenyl-1-picrylhydrazyl (DPPH), ferric reducing antioxidant power (FRAP), total capacity (TAC), gas chromatography-mass spectrometry (GC-MS). Anti-microbial activity against bacterial fungal strains was assessed disk diffusion micro-dilution, acute toxicity examined on...

Abstract Several drugs cure pathogenic microorganisms; however, they all have cost, toxicity, and resistance. The present study was designed to evaluate the antibacterial, antifungal, antileishmanial efficacy, as well toxicity profile, of nanoparticles (NPs). Synthesized silver (AgNPs) Cinnamomum zeylanicum ( C. ) bark extract characterized using several techniques were UV-visible spectroscopy verified NPs production. absorption peak 418 nm. Fourier transform infrared used identified...

Abstract Breast cancer, the prevailing malignant tumor among women, is linked to progesterone and its receptor (PR) in both tumorigenesis treatment responsiveness. Despite thorough investigation, precise molecular mechanisms of breast cancer remain unclear. The human serves as an essential therapeutic target for treatment, warranting rapid design small molecule therapeutics that can effectively inhibit HPR. By employing cutting-edge computational techniques like screening, simulation, free...

Introduction: This study aims to assess the extent of heavy metal contamination in urban soils sixteen selected cities Pakistan, encompassing elements cadmium (Cd), lead (Pb), cobalt (Co), zinc (Zn), chromium (Cr), nickel (Ni), manganese (Mn), iron (Fe), and copper (Cu). Methods: The data utilized for this was collected from online literature during period 2005 2019. investigated potential threats human health through a comprehensive analysis, considering standards such as Enrichment Factors...

Abstract Saprolegnia parasitica is responsible for devastating infections in fish and poses a tremendous threat to the global aquaculture industry. Presently, no safe effective control measures are available, on contrary, use of banned toxic compounds against pathogen affecting humans via biomagnification routes. This pioneering study aims design an multi-epitope multi-target vaccine candidate S. by targeting key proteins involved infection process. The were analyzed linear B-cell epitopes,...

Hepatocellular carcinoma (HCC) stands as the most common cancer type, arising from various causes, and responsible for a substantial number of cancer-related fatalities. Recent advancements in viral metagenomics have empowered scientists to delve into intricate diversity virosphere, evolution, interactions between viruses their hosts, identification causes behind disease outbreaks, development specific symptoms, potential role altering host's physiology. The present study had objective...

Abstract Dengue virus is a single positive-strand RNA that composed of three structural proteins including capsid, envelope, and precursor membrane while seven non-structural (NS1, NS2A, NS2B, NS3A, NS3B, NS4, NS5). viral infection caused by the dengue (DENV). DENV infections are asymptomatic or produce only mild illness. However, can occasionally cause more severe cases even death. There no specific treatment for infections. Therapeutic peptides have several important advantages over...

Opuntia ficus-indica, also known as the prickly pear, is a cactus belonging to Cactaceae family. For centuries, this remarkable plant has been valued for its medicinal, environmental, and culinary uses. The primary objective of research examine contrast chemical composition, functional attributes, nutritional significance ficus-indica cladodes sourced from three distinct regions in Morocco: Oulad Boubker, Imzouren, Skoura. According results, moisture content differs significantly between...

Introduction: Breast cancer poses a significant global challenge, prompting researchers to explore novel approaches for potential treatments. Material and Methods: For in vitro study we used thin layer chromatography (TAC) phytochemical screening, total antioxidant capacity (TLC) assay capacity, hemolytic activity test toxicity of Neuropilins (NRPs). We performed bioinformatic analyses predict protein structures, molecular docking, pharmacophore modeling, virtual screening reveal...

Abstract Physicochemical and phytochemical assessment of leaf mustard ( Brassica juncea L.) grown in different agroclimatic conditions is essential to highlight their compositional variability evaluate the most suitable bunch agronomic practices. B. one important leafy vegetables that serve as source vitamin A C iron, plenty antioxidants. This situ research was executed assess quality agroecosystems. Leaves’ samples were procured from 15 farmers’ fields exhibiting i.e., elevation, nutrient...

Abstract This study aims to formulate and optimize Moringa oleifera ( ) oil oleogels using pectin (PC) chitosan (CS) as gelling agents. These include monogelator oleogels, utilizing either PC or CS a single agent, binary gelator incorporating combination of both CS. Among the oleogel compositions, most stable OPCCS2 was further studied with addition antioxidants. The important antioxidant compounds gallic acid equivalents (GAEs)/ extracts (MAEs) were quantified by use various assays....

Glutathione Peroxidase 1 (GPx1) gene has been reported for its role in cellular redox homeostasis, and the dysregulation of expression is linked with progression diverse cancers. Non-synonymous single nucleotide polymorphism (nsSNPs) have emerged as crucial factors, playing their GPx1 overexpression. To understand deleterious mutational effects on structure function enzyme, we delved deeper into exploration possibly damaging nsSNPs using in-silico based approaches. Eight widely utilized...

The present study was carried out to investigate the antioxidant effect of ascorbic acid on omeprazole (O.P.)-induced acute kidney infection (AKI). Design experiment (DoE) employed fabricate formulations (P1–P8) by extrusion spheronization technique, and they were evaluated using various analytical techniques. P1–P8 have % drug loading ranging from 56.34 ± 1.10 98.67 1.05%, encapsulation efficiency 70.98 0.96 percentage release varying 36.56 1.34 93.45 1.45%, Hausner's ratio 1.026 0.05 1.065...

The present work aimed at characterizing the phytochemical composition of Haplophyllum tuberculatum essential oil (HTEO), assessing its antifungal activity against various fungal strains, evaluating insecticidal and repulsive properties Callosobruchus maculatus , determine antioxidant capacity. To this end, Gas chromatography-mass spectrometry analysis detected 34 compounds in HTEO, with β -Caryophyllene being major constituent (36.94%). HTEO demonstrated predominantly modest effects,...

Aldose reductase (AR) is an important target in the development of therapeutics against hyper-glycemia-induced health complications such as retinopathy, etc. In this study, we employed a combination structure-based drug design, molecular simulation, and free energy calculation approaches to identify potential hit molecules anti-diabetic (anti-hyperglycemic)-induced complications. The 3D structure aldoreductase was screened for multiple compound libraries (1,00,000 compounds) identified...

This study aims to investigate the chemical and mineral composition, antioxidant, analgesic, anti-inflammatory effects of aqueous extract Cistus laurifolius var. atlanticus Pit. (Cistaceae). Additionally, molecular docking interactions various ligands with antioxidant protein target urate oxidase (1R4U) cyclooxygenase-2 (3LN1), revealing potential dual activities highlighting specific residue interactions. The characterization focused at first glance on composition which showed that C. is a...

The current study aimed to develop a topical herbal emulgel containing Carthamus tinctorius L. (CT) oil extract, which has been scientifically proven for its antibacterial and antioxidant activities the ailment of bacterial skin infections.The CT was formulated by response surface methodology (RSM) evaluated various parameters like extrudability, spreadability, pH, viscosity, activities. Molecular docking also performed using AutoDock.Among all emulgels, F9 F8 were optimized. Optimized...

Severe acute respiratory Syndrome-Coronavirus-2 (SARS-CoV-2) is the etiological virus of Coronavirus Disease 2019 (COVID-19) which has been a public health concern due to its high morbidity and mortality. Hence, search for drugs that incapacitate via inhibition vital proteins in life cycle ongoing paucity clinical use against virus. Consequently, this study was aimed at evaluating potentials natural phenolics Main protease (Mpro) receptor binding domain (RBD) using molecular modeling...