Identification Of Phytochemicals Research Articles

An ethnobotanical survey of medicinal plants used by diabetes patients attending the Teaching Hospital, Jaffna, Sri Lanka

The scope of this study is to describe the ethnobotany of medicinal plants used in the management of diabetes mellitus (DM) among diabetic patients attending the Teaching Hospital, Jaffna. A cross-sectional descriptive study was conducted among 388 patients attending the medical clinic of Teaching Hospital, Jaffna, using systematic sampling technique. Data were collected using a validated structured interviewer-administered questionnaire and were analysed to generate the summary of the percentages using descriptive statistics. Family Important Value (FIV) and Related Frequency Citation (RFC) were calculated to quantitatively determine the common consent between the informants on the use of endemic medicinal plants in the division. A total of 59 species belonging to 33 families were reported by 329 diabetic patients with the response rate of 100%. Among them Moringa oleifera Lamk. (142) was stated as the species with the highest RFC value, followed by Gymnema sylvestre (105), Momordica charantia Linn. (104). Moringaceae was the most dominant family with FIV 43.16. The value of RFC of the plants mentioned in this survey varied from 0.003 to 0.432. Moringa oleifera Lamk. showed the highest RFC value (0.432). In this study, 29 plant species used for DM management were reported for the first time in Sri Lanka. Further, antidiabetic property of Achyranthus polygonoides, Argyreia pomacea Wall. ex Choisy and Cassia tomentosa are yet to be investigated. These findings facilitate the documentation and the conservation of medicinal plants used for DM by the patients in Teaching Hospital, Jaffna, Sri Lanka. Moreover this study open doors for phytochemical screening and identification of new antidiabetic active compounds.

Exploration of neuroprotective and cognition boosting effects of Mazus pumilus in Alzheimer's disease model.

Mazus pumilus (MP) an Asian flowering plant, known for various reported pharmacological activities including antioxidant, anti-nociceptive, anti-inflammatory, anticancer, antibacterial, antifungal, and hepatoprotective effects. This study focused on further exploring Mazus pumilus's methanol leaf extract (MPM) for bioactive principles and investigating its neuroprotective and cognition-enhancing potential in Alzheimer's disease models. For the phytochemical screening and identification, TLC, HPLC, and Fourier transform infrared (FTIR) were employed. In-vitro antioxidant potential was assayed by DPPH Free Radical Scavenging method, followed by in-vivo neuroprotective effect of MPM (100, 200, 300 mg/kg) using Wistar-albino rats, sodium azide for induction of AD and rivastigmine as standard. Over 21days, we observed neurobehavioral changes and performed biochemical (GSH, CAT, SOD, and AchE activity) and histopathological evaluations. Results revealed the presence of alkaloids, flavonoids, amino acids, terpenoids, glycosides, sterols, and saponins. HPLC analysis confirmed the presence of gallic acids, sinapic acid, and caffeic acid. DPPH confirmed the antioxidant effect of MPM, which served as a base for its potential neuroprotective activity. Biochemically, oxidative stress markers improved significantly post-treatment, with decreased GSH, SOD, CAT levels, and increased AchE activity, indicating a reversal of AD-induced changes. Behavioral assessments showed improvements in locomotion, memory, spatial learning, and cognition. Histologically, there was a dose-dependent reduction in neurodegenerative features like neurofibrillary tangles and amyloid beta plaques. Hence, this study concluded MPM is a promising candidate for prophylaxis and treatment of behavioral deficits and cognitive dysfunction in Alzheimer's disease.

Computational identification of Vernonia cinerea-derived phytochemicals as potential inhibitors of nonstructural protein 1 (NSP1) in dengue virus serotype-2.

Dengue virus (DENV) infection, spread by Aedes aegypti mosquitoes, is a significant public health concern in tropical and subtropical regions. Among the four distinct serotypes of DENV (DENV-1 to DENV-4), DENV-2 is associated with the highest number of fatalities worldwide. However, there is no specific treatment available for dengue patients caused by DENV-2. This study aimed to identify inhibitory phytocompounds in silico in Vernonia cinerea (V. cinerea), a widely used traditional medicinal plant, for treating DENV-2 associated illnesses. The chemical structures of 17 compounds from V. cinerea were sourced from the Indian Medicinal Plants, Phytochemistry, and Therapeutics (IMPPAT) database. These compounds underwent geometry optimization, were screened against nonstructural protein 1 (NSP1) of DENV-2, and further validated through molecular dynamics simulations (MDS). Baicalein, an established drug against DENV-2, was used for validation in molecular screening, MDS, and MM-GBSA analyses. Among these compounds, Beta-amyrin, Beta-amyrin acetate, Chrysoeriol, Isoorientin, and Luteolin showed promising potential as inhibitors of the NSP1 of DENV-2, supported by the results of thermodynamic properties, molecular orbitals, electrostatic potentials, spectral data and molecular screening. Besides, these compounds adhered to the Lipinski's "rule of 5", showing no hepatotoxicity/cytotoxicity, with mixed mutagenicity, immunotoxicity, and carcinogenicity. Furthermore, final validation through MDS confirmed their potential, demonstrating stable tendencies with significant inhibitory activities against NSP1 of DENV-2 over the control drug Baicalein. Among the screened compounds, Chrysoeriol emerged as the most promising inhibitor of NSP1 of DENV-2, followed by Luteolin and Isoorientin. Taken together, our results suggest that Chrysoeriol is the best inhibitor of NSP1 of DENV-2, which could be evaluated as a therapeutic agent or a lead compound to treat and manage DENV-2 infections.

Green synthesis of silver/silver oxide nanostructures using the Malva sylvestris extract prior to simultaneous distillation extraction: synthesis, phytochemical and biological analysis.

Nanotechnology and nanoscience are due to their numerous uses in medicine, engineering, and water pollution sensors and their expanding research fields. In this study, the essential oil, methanolic extract, and biosynthesized silver/silver oxide nanostructures (Ag/AgO NSs) using the aqueous extract of the plant were prepared. The phytochemical compounds of the extract and essential oil were analyzed using gas chromatography/mass spectrometry (GC/MS), respectively. The GC/MS technique identified 34 compounds in the essential oil of the plant with the major constituents including oleic acid (18.5%), palmitic acid (11.08%), phytone (6.64%), p-vinylguaiacol (6.4%), and phytol (4.23%). After the phytochemical identification, the total flavonoid and polyphenol contents of the extract was determined, too. Prodelphinidin B3 compound in the Malva sylvestris extract was analyzed and detected by high-performance liquid chromatography/ultraviolet detector (HPLC-UV), at a retention time of around 10 min. In addition, M. sylvestris extract was used for green synthesis of Ag/AgO NSs. The as-prepared NPs were characterized using X-ray diffraction (XRD), UV-visible absorption spectroscopy, scanning electron microscope equipped with energy-dispersive X-ray spectroscopy (SEM/EDS), Brunauer-Emmett-Teller (BET), Barrett-Joyner-Halenda (BJH), and Fourier transform infrared (FT-IR) analyses. Surface plasmon resonance (SPR) absorption at λmax 320 nm in the UV-vis spectra confirms the formation of Ag/AgO NSs. The crystalline structure of Ag/AgO NSs was confirmed by XRD analysis.The nanoparticles were found to have a small size, measuring 64.16 nm, 44.33 nm, and 50 nm using the Williamson-Hall, Scherrer, and SEM/EDS methods, respectively. Besides, that spherical shape of Ag NPs with good size distribution was observed in the SEM/EDS analysis. The small size, around 50 nm, and spherical shape of Ag/AgO NSs with good size distribution were observed in the SEM/EDS analysis. Besides, the antibacterial activity of the extract was evaluated against three pathogenic bacteria, by disk diffusion method. Significant antibacterial activity was observed for the prepared extracts of M. sylvestris against the bacteria (Bacillus subtilis, Escherichia coli, and Pseudomonas aeruginosa), and the results were compared with the known antibiotics such as amoxicillin, cephalexin, erythromycin, and fluconazole.

Extraction of Anacardium occidentale: a kinetic, thermodynamic, phytochemical identification, and antibacterial study

Extraction of Anacardium occidentale: a kinetic, thermodynamic, phytochemical identification, and antibacterial study

Phytochemical Identification of Methanolic Extract of Leaves Hernandia peltata Meisn and Evaluation of Anti-Inflammatory Activity In silico

Phytochemical Identification of Methanolic Extract of Leaves Hernandia peltata Meisn and Evaluation of Anti-Inflammatory Activity In silico

Microwave-assisted extraction of phenolic compounds from Commiphora gileadensis leaf and their characterization

Commiphora gileadensis (C. gileadensis) is a plant traditionally used in many parts of the world for medicinal purposes. However, the benefits of this plant are yet to be uncovered due to the use of conventional extraction methods during its extraction. Hence, there is a need for more efficient and environment-friendly extraction methods for optimum recovery of the bioactive components of C. gileadensis. This study aims to evaluate the impact of microwave-assisted extraction (MAE) process parameters (individually and in combination) on the recovery of phenolic compounds from C. gileadensis leaf. One-Factor-At-a-Time (OFAT) optimization method was used in this work to study the impact of varying the MAE process parameters (sample: solvent ratio, microwave power, ethanol concentration, and extraction temperature) on the optimum yield of phenolic compounds. The obtained phenolic compounds were characterized using Gas chromatography-mass spectrometry (GC–MS) for tentative identification of the component phytochemicals of the extract. The results showed that the optimal process condition of microwave power at 300 W, solvent/sample ratio of 1:10 g/mL, solvent concentration of 40 % v/v, and extraction temperature of 40 °C gave the maximum extraction yield of 33.20 ± 0.42 % w/w, total phenolic content (TPC) of 114.65 ± 3.14 mg GAE/g d.w., and total flavonoids content (TFC) of 37.56 mg QE/g d.w.). Furthermore, the GC-MS analysis identified 25 phenolic compounds with good antioxidant activities from the extracts. Therefore, MAE is considered a non-conventional green method for improved extraction of phenolic compounds from C. gileadensis leaf compared to the existing conventional extraction methods.

Phytochemical Identification of Alkaloidic Compounds from Cinnamomum cassia Cortex and Estimation of their Antifungal Efficacy

Cinnamomum caresia is defined as a medical and traditional plant grows in diverse countries in the world. It has therapeutic effects for treating various diseases resulting from infection by different microorganisms. In the current study, six alkaloids compounds were isolated and characterized from cinamom cortexes by using the GC-MS technique. The synergistic interaction was applied for the alkaloidic mixture against growth of two isolates of pathogenic fungi represented by Urocystis agropyri and Candida albicans by using the concentrations (25, 50, 75, 100, and 125 mg/ml) which recorded diverse diameters of inhibition equal to 58, 66, 72, 74, and 78 mm and 68, 52, 70, 72, and 74 mm, respectively. As a result, these alkaloidic compounds are recommended for use as natural therapy for diseases caused by the current pathogenic fungi.

Unraveling the treasure trove of phytochemicals in mitigating the Salmonella enterica infection.

Foodborne diseases triggered by various infectious micro-organisms are contributing significantly to the global disease burden as well as to increasing mortality rates. Salmonella enterica belongs to the most prevalent form of bacteria accountable for significant burden of foodborne illness across the globe. The conventional therapeutic approach to cater to Salmonella enterica-based infections relies on antibiotic therapy, but the rapid emergence of the antibiotic resistance strains of Salmonella sp. necessitates the development of alternative treatment and prevention strategies. In light of this growing concern, the scientific community is rigorously exploring novel phytochemicals harnessed from medicinally important plants as a promising approach to curb Salmonella enterica infections. A variety of phytochemicals belonging to alkaloids, phenols, flavonoid, and terpene classes are reported to exhibit their inhibitory activity against bacterial cell communication, membrane proteins, efflux pumps, and biofilm formation among drug resistant Salmonella strains. The present review article delves to discuss the emergence of antibiotic resistance among Salmonella enterica strains, various plant sources, identification of phytochemicals, and the current state of research on the use of phytochemicals as antimicrobial agents against Salmonella enterica, shedding light on the promising potential of phytochemicals in the fight against this pathogen.

In-silico Identification of citrus phytochemicals for chemical interaction of CotH of Mucor and human GRP78 receptor and its experimental verification through FTIR spectroscopy

After suffering from serious critical disease such as recent COVID-19 pandemic, secondary fungal infection (Specially Mucormycosis) has become a serious concern throughout the world. Glucose regulated protein 78 (GRP78) is a multifunctional protein which acts as a receptor in human body for spore Coat homolog (CotH) cell surface protein of Mucorales. The development of immunity with easily available plant products is vital and essential due to having less effect on other biological activities. Here, In-silico method has been employed to screen antifungal citrus phyto-chemicals through molecular docking with CotH and its ADMET study due its rapid and cost effective quality compared to the trial and error methods using experimental studies. Limonin and naringin have been selected as potential ligands due to having its low binding affinity and no risk factor as per Lipinski's rule of five and medicinal chemistry. Molecular interaction of naringin and limonin with CotH obtained by molecular docking shows better binding affinity of −8.7 and – 8.9 kcal/mol respectively. The binding of CotH-GRP78 complex (developed through protein-protein molecular docking) with limonin resists more in the spreading of Mucormycosis in comparison to naringin. The FTIR spectra of limonin-CotH and Naringin-CotH sample exhibits the evidences of hydrogen bond for the formation of both strong limonin-CotH and naringin-CotH complex assuring the development of immunity with citrus fruit containing limonin and naringin.

Identification of Phytochemicals and Mineral Nutrients of Selected Malaysian Plant Extracts and its Effects on Seed Priming of Maize

Plants contain a variety of phytochemicals, which act as natural bioactive compounds to help plants enhance abiotic tolerance and promote growth. Therefore, plant extracts are considered to have great potential as environmentally friendly biostimulants in sustainable agriculture. This study aimed to identify the phytochemical compounds and quantify nutrients present in three plant extracts, namely Euphorbia hirta, Polygonum minus, and Eleusine indica, as well as to explore the effect on the growth of maize seedlings (Zea mays L.). The plant powder was extracted using methanol, followed by a solid-liquid extraction procedure. The phytocompounds were analyzed by liquid chromatography-mass spectrometry, while mineral nutrients were quantified using inductively coupled plasma. Five concentrations of plant extracts, i.e., 5, 15, 25, 50, and 100%, were designed to evaluate seed germination and priming. The result showed that 53, 45, and 39 phytocompounds were identified from E. hirta, P. minus, and E. indica, respectively, and classified into different chemical groups (such as flavonoids and amino acids) and rich nutrients (for example, N, P, and K). Besides, P. minus and E. hirta extracts with lower concentrations (5 and 15%) showed a positive effect on germination, shoot length and fresh weight, and the Highest concentration (100%) of E. hirta and E. indica extracts exhibited strong toxicity. This study emphasizes that weed extracts containing abundant secondary metabolites and nutrients can be used as natural biostimulants for maize seed priming.

Identification and characterization of phytochemicals in methanolic extract of roots of Datura fastuosa using various techniques

BackgroundPlant extracts have attracted significant interest among researchers due to their potential bioactivity and crucial contribution to the production of pharmaceutical compounds. In this study, the primary objective was to extract, analyze and characterize the bioactive compounds found in the methanol root extract of Datura fastuosa (D. fastuosa). This was achieved using various analytical techniques such as gas chromatography/mass spectrometry (GC–MS), ultra-violet visible spectrophotometry, Fourier-transform infrared (FT-IR), nuclear magnetic radiation spectrometry (NMR) and DPPH free radical scavenging activity assay.ResultsGC–MS analysis of the methanol root crude extract identified 49 compounds. Three compounds were isolated via column chromatography; one was pure, with a sharp melting point and clean IR spectrum, while the other two showed broad melting points and IR interferences. Comprehensive investigation of the pure extract revealed a UV profile with two distinct bands (300–800 nm) and confirmed functional groups (alcohol, alkanes, alkenes, carbonyl, methylene, and methyl) through FT-IR analysis. The 1HNMR (proton nuclear magnetic resonance spectroscopy) signal confirmed the presence of forty-nine non-equivalent protons, 13CNMR (Carbon-13 nuclear magnetic resonance spectroscopy) signal confirmed the presence of 32 non-equivalent carbons and DEPT-135 (distortionless enhancement by polarization transfer-135) signal confirmed the presence of 24 carbons (17 for odd and 7 for even) which are protons containing carbons in the compound. Combining the above mentioned analyses with data obtained from the GC/MS analysis of National Institute of Standards and Technology (NIST) library, the isolated pure compound exhibited a structural similarity to 1-(7-(3-hydroxyphenyl)-1,1,4a,5,6,9,10a,10b-octamethyl-1,2,3,4,4a,4b,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-yl)propan-1-one, with a chemical formula of C35H50O2.ConclusionsThe presence of various notable compounds, including phenolics, flavonoids, alkaloids, steroids etc., within the methanol root extract of D. fastuosa signifies its pharmacological potential. The methanol crude extract demonstrated antioxidant potential compared to standard ascorbic acid, exhibiting DPPH scavenging activity. Previous research has demonstrated the bioactivity of some of these compounds, further elucidating the plant’s medicinal properties. These findings not only suggest opportunities for developing synthetic drugs but also underscore its direct therapeutic potential in addressing diverse ailments.

Assessing anti oxidant, antidiabetic potential and GCMS profiling of ethanolic root bark extract of Zanthoxylum rhetsa (Roxb.) DC: Supported by in vitro, in vivo and in silico molecular modeling.

Zanthoxylum rhetsa (ZR) is used traditionally to manage a variety of ailments, including diabetes. Oxidative stress may accelerate the diabetic condition. The available antidiabetic and antioxidant drugs have many shortcomings including resistance, inefficiency, higher dose, side effects and costs. The goal of the current investigation was to assess the antioxidant capacity and antidiabetic activity of an ethanolic extract of Zanthoxylum rhetsa root bark (ZRRB) through in vitro, in vivo, and in silico methods. The antioxidant capacity of the ZRRB extract was measured using both the DPPH radical assay and the total antioxidant activity test. The oral glucose tolerance test (OGTT) and alloxan-induced diabetic mice model were also used to examine in vivo antidiabetic efficacy. Phytochemicals identification was done by GCMS analysis. Additionally, computational methods such as molecular docking, ADMET analysis, and molecular dynamics (MD) modeling were performed to determine the above pharmacological effects. The extract demonstrated significant DPPH scavenging activity (IC50 = 42.65 μg/mL). In the OGTT test and alloxan-induced diabetes mice model, the extract effectively lowered blood glucose levels. Furthermore, in vitro inhibition of pancreatic α-amylase studies demonstrated the ZRRB extract as a good antidiabetic crude drug (IC50 = 81.45 μg/mL). GCMS investigation confirmed that the crude extract contains 16 major phytoconstituents, which were docked with human peroxiredoxin-5, α-amylase, and sulfonylurea receptor 1. Docking and pharmacokinetic studies demonstrated that among 16 phytoconstituents, 6H-indolo[3,2,1-de] [1,5]naphthyridin-6-one (CID: 97176) showed the highest binding affinity to targeted enzymes, and imitated Lipinski's rule of five. Furthermore, MD simulation data confirmed that the aforementioned compound is very steady to the binding site of α-amylase and sulfonylurea receptor 1 receptors. Findings from in vitro, in vivo and in silico investigation suggest that ZRRB extract contains a lead compound that could be a potent source of antidiabetic drug candidate.

Comprehensive phytochemical profiling of Phyllanthus emblica L. flowers on UHPLC/MS quadrupole time of flight, HPTLC, HPLC, and NMR analytical platforms reveals functional metabolites with potent anti-inflammatory effects in human (THP-1) macrophages.

Phyllanthus emblica L., renowned for its pharmacological benefits found in its fruits and leaves, has received considerable attention. However, there is a notable lack of research on its flowers, specifically on metabolite profiling and pharmacological activity. The present study aims to delineate the phytochemical constituents of hydromethanolic extract of P.emblica flowers by ultra-high-performance liquid chromatography coupled with quadrupole time of flight mass spectrometry (UHPLC-QToF-MS), high-performance thin layer chromatography (HPTLC), high-performance liquid chromatography (HPLC), infrared and nuclear magnetic resonance spectroscopic methods and subsequent evaluation of its anti-inflammatory potential. The identification and characterization of phytochemicals in P.emblica flowers was performed by UHPLC/MS-QToF in both positive and negative ionization modes. Additionally, marker compounds present in flower extract were analyzed using HPTLC, HPLC, FT-IR, and NMR methods. The anti-inflammatory potential was evaluated in lipopolysaccharide-stimulated THP-1 macrophages by evaluating inflammatory biomarkers. UHPLC/MS-QToF analysis facilitated the identification of 51 compounds from P.emblica flowers including gallic acid derivatives, flavonoid glycosides, and tannins based on their fragmentation patterns and previous literature reports. Notably, the study also identified spermidine compounds for the first time in this species. Optimization of HPTLC and HPLC methods marked the presence of corilagin as major compound followed by FT-IR and NMR spectral methods. Moreover, treatment with hydromethanolic extract of P.emblica flowers resulted in decreased levels of proinflammatory cytokines, TNF-α, IL-1β, and IL-6, alongside modulation of nuclear factor-κB activity in lipopolysaccharide-induced THP-1 macrophages. Chromatographic techniques in conjunction with spectral methods found robust prevalence in the identification of signature phytometabolites present in P. emblica flowers, which sets the basis for its anti-inflammatory potentials. The studies established a foundation for further exploration of potential applications of P. emblica flowers across various domains.

Phytochemical Testing Methodologies and Principles for Preliminary Screening/ Qualitative Testing

Plants are basically biosynthetic factories that contain various pathways that produce phytochemicals with the help of different parts of the cell while specialized cells or tissues hoard and use them as needed. Human population has used this to their advantage for centuries. Aims: This review article aims to provide a comprehensive guide to qualitative phytochemical tests, focusing on their principles, procedures, and interpretation of results. Scope of Review: This review covers qualitative tests for major phytochemical groups, including alkaloids, flavonoids, tannins, saponins, and phenols. Methodology: Various qualitative tests are compiled and described, detailing the chemical principles underpinning each test and the expected outcomes for the identification of phytochemicals. Summary of Findings: Qualitative phytochemical tests are highlighted for their simplicity, cost-effectiveness, and accessibility, making them valuable tools, particularly in resource-limited settings. These tests provide baseline information on phytochemical profiles and serve as initial screening tools that can lead to more detailed studies. Conclusion: While advanced analytical techniques exist, qualitative methods remain essential for initial phytochemical screening due to their practical advantages. This review emphasizes the importance of these classical techniques in both research and practical applications.

Studies on the Bioactive Components and Antibacterial Activities of Kigelia Africana

Objective: Nature has been a source of medicinal agents for thousands of years and an impressive number of modern drugs have been isolated from natural sources. K. africana is a plant which various part have been used as antibacterial agents, antiprotozoal agents, antineoplastic agents, CNS stimulants e.t.c. Method: Fresh leaves and stem bark of K. africana were collected from Egugwu Agbaja Izzi LGA, Ebonyi State. The plant was washed, soaked, filtered and air-dried to get the aqueous extract. Semi quantitative phytochemical identification, Gas chromatography/Mass spectrometry as well as antibacterial assays of the extracts against C. freundii, E. coli, K. pneumonia and S. aureus by agar well diffusion method were carried out. The aqueous extracts were re-extracted to obtain an ethanolic fraction. Result: The aqueous extract of the leaf had more inhibitory effects than that of the stem bark on the test organisms. The aqueous extract had more inhibitory effects against S. aureus, K. pneumonia and C. freundii as compared to E. coli. The ethanolic fraction had a very significant (P˂0.05) inhibitory effect against all the test organism. Phytochemical analysis of the crude extracts showed the presence of glycosides, tannins, carbohydrate resin and reducing sugar in all extract while saponin and flavonoid was noted only in the aqueous extract of K. africana stem bark. The GC/MS revealed the presence of acetic acid, hydroxy-ethyl ester e.t.c in the leaf aqueous extract whereas phenol, 3-methoxy-2,4,6-trimethyl was revealed in the stem bark. Conclusion: This study revealed that aqueous extract of K. africana contains high amount of phyoconstituents and it may be responsible for its good antibacterial activity.

Identification of phytochemicals as potential inhibitors of Candida albicans SAP3: An in-silico approach

Background: Candida albicans is a major threat to human health, causing a variety of diseases. Candida albicans can overgrow and trigger infections like thrush, diaper rash, and vaginal yeast infections. Therefore, finding potential inhibitors of C. albicans from plant sources has become important, recently.Methods: This study investigated the interaction of natural compounds (N = 450) from the ZINC database with the C. albicans SAP3 protein. PyRx tools were used to conduct molecular docking analyses, which included ligand and target receptor preparation, data analysis, and visualization.Result: The binding energies between the natural compounds and SAP3 ranged from -8.8 to -7.8 kcal/mol, indicating that the interactions were predominantly strong. Among the compounds screened, ZINC000252509014, ZINC000252509722, ZINC000253389136, ZINC000251981944, and ZINC000252480871 were extensively explored in this study because they were found to be the best among others. Furthermore, these compounds showed favorable drug-like properties.Conclusion: These findings lay the groundwork for future research aimed at developing potent SAP3 inhibitors to treat C. albicans infections.Keywords: Candida albicans; SAP3 protein; Natural compounds; Virtual screening; Drug-likeness

Phytochemical Identification and Assessment of Amberboa ramosa Mediated Inhibition of Microtubule and EGFR Associated Growth and Metastasis of Breast Cancer Cells: In Vitro and In Silico Perspective

Amberboa ramosa Roxb. (Asteraceae), commonly known as “Badaward”, has been used for the treatment of tumors from ancient times. In this study, we aimed to scientifically authenticate the use of A. ramosa for breast cancer treatment. The whole plant fractions of A. ramosa were evaluated for their cytotoxic properties against MDA-MB-231 breast cancer cell lines. Among these fractions, Pet. ether, ethyl acetate, and ethanolic fractions exhibited considerable levels of cytotoxicity against MDA-MB-231 cells with [Formula: see text] values of 78.55, 90.60, and 92.92 [Formula: see text]g/mL, respectively. The cell migration significantly decreased in ethyl acetate and ethanolic fractions. GC–MS was used to analyze the phytochemical profile of bioactive fractions, which revealed the presence of long-chain hydrocarbons, carboxylic acids, esters, alcohols, and terpenoids. Subsequently, the 96 compounds present in bioactive fractions were efficiently docked with EGFR and microtubule protein to evaluate affinity towards the targets. Eight common compounds were achieved using a docking-based approach against both target proteins, which showed similar interaction patterns as the reference inhibitors (colchicine and erlotinib). The key interactions revealed the potential of screened compounds as promising hits. 2-[1,2-Dihydroxyethyl]-9-[[Formula: see text]-d-ribofuranosyl]hypoxanthine showed the best dock score of −9.337 and −8.548 kcal/mol against EGFR and microtubule, respectively. 5-Oxo-cystofuranoquinol exhibited better dock score as well as binding energy against both targets. Chemical features present in the 08 dual inhibitors were also matched from the present EGFR and microtubule inhibitors for comparing the anticancer potential. Thus, this research revealed many new directions for developing natural lead compounds from Amberboa ramosa as dual inhibitors for treating breast cancer.

Phytochemical analysis and identification of different metabolites profiling in oil extracted from ginger (Zingiber officinale Rosc.) using gas chromatography and mass spectroscopy technique

Phytochemical analysis and identification of different metabolites profiling in oil extracted from ginger (Zingiber officinale Rosc.) using gas chromatography and mass spectroscopy technique

Exploring the antioxidant performance and identification of bioactive phytochemicals of leaf extracts of Senna alata (L.) Roxb.

Senna is a highly-producing Leguminosae herb known as a ringworm plant. Antioxidants protect the body against reactive oxygen species-induced oxidative damage, which is linked to cardiovascular disease and cancer. Naturally occurring plant antioxidants are being considered as preventive medicine. Escherichia coli, Staphylococcus aurteus, Enterococcus faecalis, and Bacillus subtilis were examined for Senna alata extract secondary metabolites, antioxidant, and antibacterial activity. The plant leaf was phytochemically examined for alkaloids, tannins, general glycosides, steroids, and terpenoids. A quantitative study of leaf extract secondary metabolites was done. Results showed that alkaloids, tannins, steroids, and terpenoids had concentrations of 8.5±2.0mg/100g, 12.5±1.0mg/100g, 17.0±2.0mg/100g, 11.5±3.0mg/100g, and 16.0±3.1mg/100g, respectively. The study discovered that increasing the quantities of leaf extract directly enhanced the scavenging action of DPPH (2, 2-diphenyl-1-1-picrylhydrazyl). The antioxidant activity of the leaf extract was inferior to that of ascorbic acid. The test organisms were susceptible to the plant extract due to the presence of zones of inhibition. At the lowest concentration, the Senna alata leaf extract combined with Ethanol exhibited the highest level of inhibition against Escherichia coli and Staphylococcus aureus. The findings of this study suggest that the chemical compounds found in Senna alata leaf extract will have potential applications in chemotherapy.