Highest Percentage Of Inhibition Research Articles

Antimicrobial, antibiofilm, and antiviral investigations using egyptian phoenix dactylifera L. pits extract

Phoenix dactylifera L. and its wastes are known to be high in nutrients that are beneficial to human health. The study aimed to evaluate the antimicrobial, antibiofilm, and antiviral properties of Phoenix dactylifera L. pits extract (PDPE) in vitro. Gas chromatography-mass spectrometry (GC–MS) analysis indicated phenol, 2,5-bis(1,1-dimethyl ethyl), tetradecanoic acid, octaethylene glycol monododecyl ether, á-D-glucopyranosiduronic acid, and heptaethylene glycol monododecyl ether existence. The PDPE influenced pathogenic microorganisms, with inhibition zone diameters (IZDs) ranging from 10.0 to 35.0 mm. Staphylococcus aureus ATCC 5638 had the highest IZD, while Salmonella typhi DSM 17058 and Shigella sonnei DSM 5570 had the lowest. The antifungal effect observed only in spore failure or conidia formation. PDPE showed a 100% antibacterial spectrum against bacteria, with MIC values between 250 and 1000 µg/ml. MIC was only indicated with S. aureus of 500 µg/ml. MBC values ranged from 500 to 1000 g/ml, with MBC values of 500 g/ml for B. cereus, E. faecalis, S. typhi, and S. sonnei. The activity was 66.7% at 500 µg/ml, further concentrations of 125–250 g/ml had no antibacterial effect. PDPE biofilm inhibition % had the highest percentage of inhibition (98.59%) with S. aureus, B. cereus (94.12%), and E. coli (74.46%). With 50% (CC50) viral activity, the highest non-toxic PDPE dose was found to be at 123.0 µg/ml.

Synthesis Of New Chroman-4-one Based 1,2,3-Triazole Analogues As Antioxidant And Anti-inflammatory Agents.

A library of new chroman-4-one based 1,2,3-triazole analogues were synthesized involving a series of condensation, cyclization, Suzuki coupling and copper catalysed click chemistry protocols. The newly synthesized compounds 8a-l were screened for their invitro antioxidant and anti-inflammatory activities by employing Ascorbic acid and Diclofenac as reference drugs respectively. The compound without any substituent on benzyl ring (8a), compound with -Cl substituent in para position of benzyl ring (8i), and compound with ethoxy substituent in para position of benzyl ring (8k) exhibited potent antioxidant and anti-inflammatory activities with higher percentage of inhibition. To understand their binding affinities, molecular docking study of these three compounds performed against NADPH oxidase with presented outstanding docking scores and promising binding interactions like H-bond and hydrophobic.

Anthelmintic activity and chemical profile of native plant extracts from the Yucatan Peninsula against Toxocara canis

Toxocara canis can produce the “larva migrans” syndrome in humans, and in puppies, it can cause severe digestive disorders. The most used treatments are based on anthelmintics, although there are reports of anthelmintic (AH) resistance. The Yucatan Peninsula has a great variety of plant species whose AH properties are still unknown. The objective of this study was to evaluate the in vitro AH activity of ethanolic (EE), methanolic (ME) and aqueous (AE) extracts from the leaves of five native plant species of the Yucatan Peninsula on T. canis eggs of dogs from Merida, Yucatan. As part of a screening, the EE of the plants Alseis yucatanensis, Calea jamaicensis, Cameraria latifolia, Macrocepis diademata, and Parathesis cubana were evaluated at doses of 2400 and 3600 μg/ml. The EE and AE of A. yucatanensis and M. diademata presented high percentages (≥ 91.3%) of inhibition of the larval development of T. canis after six days of exposure. The lowest LC50 and LC99 was presented by the ME from A. yucatanensis (255.5 and 629.06 µg/ml, respectively) and the ME from M. diademata (222.4 and 636.5 µg/ml, respectively), and the AE from A. yucatanenesis (LC50 of 535.9 µg/ml). Chemical profiling of the most potent AH extract (Alseis yucatanensis) was carried out by LC-UV-HRMS. Data from the ME and AE from this plant indicated the presence of the known glucosylngoumiensine, kaempferol 3,7-diglucosyde, uvaol, linoleic acid and linolenic acid together with unknown alkaloids. The EE, ME and AE from leaves of M. diademata and A. yucatanensis could be developed as natural alternatives to control T. canis.

Antagonistic Effect of Endophytic Fungi Isolated from Nerium olender against Rhizoctonia solani

Objective: To investigate the population of endophytic fungi accompanying to Nerium olender plant. Materials and Methods: The study was conducted on three different sites in two governorates for three consecutive months with five samples from each site. The identification of the fungi was carried out using microscopic and molecular methods while the isolation, identification of fungal pathogen and preparation of aqueous extract were also successfully done. Results: 14 species of fungi (Penicillium notatum, Rhizopus nigricans, Rhizopus stolonifera, Fusarium Solani, Fusarium oxysporum, Alternaria sp., Cladosporium sp .and Curvularia sp.), while the other sex species were identified by DNA investigation method and where (Aspergillus spp. (40%), Penicillium spp. (20%), Rhizopus spp. (12%), Fusarium spp. (10%), Alternaria sp. (4%), Mucor circinelloides (4%), Neurospora Crassa (3%), Cladosporium sp. (1%) and Curvularia sp. (1%). Conclusions: The highest percentage of inhibition was for fungi Aspergillus Flavus, Penicillium commune and Mucor circinelloides which amounted to 100% and from the third day of growth until the completion of the control dish, then Aspergillus niger and Rhizopus stolonifera, with a 90% on the seventh day of growth, and Penicillium commune, Rhizopus nigricans with a rate ranging between 82-68%, while the rest of the fungi showed an antagonistic effect, but with rates less than 50%.

Evaluation of the antiplasmodial activity of <i>Curcuma longa</i> (turmeric - Zingiberaceae) on <i>Plasmodium berghei</i> in laboratory mice.

Malaria is a leading cause of morbidity and mortality worldwide, especially in developing countries and in sub-Saharan Africa where most malaria cases and deaths occur. The resistance of malaria parasites to most anti-malaria drugs, coupled with the high cost and the toxic effects of some drugs has posed a challenge for the search of new effective anti-malarial compounds of low cost. The study aims to determine the antiplasmodial activity of Curcuma longa against Plasmodium berghei in rodents. A total of 110 Swiss albino mice weighing 18-30 grams were used for the study: 35 for the toxicity test and 75 for the antimalarial study. For each test, 25 mice were inoculated with drug-sensitive Nk65 Plasmodium berghei and divided into five groups of five animals each and each group was administered one of the following: 120mg/kg of ethanol extract, 120mg/kg water extract, 120mg/kg nHexane extracts of C. longa, 1.2mg/kg of pyrimethamine or 5mg/kg of Chloroquine (positive control) and 0.2mls of normal saline (negative control). The lethal dose concentration was above 1500mg/kg and the extracts showed significant (P<0.05) antimalarial activity with the highest percentage inhibition (67.49%) recorded in the group treated with ethanol in the curative test, followed by the group given water in the suppressive test with (65.03%) and nHexane in the prophylactic test with percentage inhibition of 64.98%. There was a slight difference in the antimalarial activities of the extracts of different solvents which all had lower activities compared with the standard drugs (Chloroquine administered at 5mg/kg or pyrimethamine, 1.2mg/kg/day) but no total clearance of the parasite was recorded. C. longa possesses considerable antiplasmodial activity, which can be exploited in malaria therapy.

Copaifera mildbraedii Desf.: Phytochemical Composition of Extracts, Essential Oil, and In Vitro Biological Activities of Bark

Copaifera mildbraedii Desf. is an evergreen tree with an umbrella-like crown. It is distributed from south-eastern Nigeria eastward to the Central African Republic (CAR). The aim of this study was to assess the chemical composition and biological activities of C. mildbraedii bark, as well as the chemical composition of the essential oil. Ethyl acetate (EtOAc) and methanol (MeOH) extracts showed a high total phenolic content (TPC) (149.9 and 148.8 mg GAE/g dry residue (dr), respectively), which was related to good antioxidant activity (DPPH) with an IC50 of 21.2 and 12.9 µg/mL, respectively. High-performance liquid chromatography coupled with diode array detector (HPLC-DAD) analysis revealed seven phenolic compounds with myricitrin (13.3 mg/g dr) and 2,4-dihydroxy-3,6-dimethyl benzoic acid (30.7 mg/g dr) as major compounds, while gas chromatography-mass spectrometry (GC-MS) analysis enabled detection of 13 volatile compounds (3 before and 10 after derivatization). Thirty compounds were identified in the essential oil, which corresponds to 65% of all identified compounds. Among the latter, E,E-farnesylacetone and γ-gurjunene were considered as major compounds (8.08 and 10.43%, respectively). The EtOAc extract showed a potent potential, simultaneously, against anti-acetylcholinesterase (AChE), anti-15-lipoxygenase (15-LOX), anti-xanthine oxidase (XOD), and cytotoxic (OVCAR) activities, whereas cyclohexane (CYHA) and dichloromethane (DCM) extracts showed a cytotoxic effect with high percentages of inhibition (95.2%).

Formulation and Evaluation of Herbal Emulsion-Based Gel Containing Combined Essential Oils from Melaleuca alternifolia and Citrus hystrix

Aims: This study aimed to investigate the synergistic anti-inflammatory effects of combined essential oils from Melaleuca alternifolia and Citrus hystrix peel. Methodology: An emulsion-based gel containing combined essential oils from Melaleuca alternifolia and Citrus hystrix peel was topically applied to the injected area of the carrageenan-induced hind paw edema mouse model. Diclofenac sodium was used as a positive control. The inhibition percentage of protein denaturation in all mice was assessed and calculated based on paw volume (Pv). Results: The highest inhibition percentage, recorded at the third hour in the carrageenan-induced hind paw edema mouse model, was 44.76%, achieved by the mice treated with combined essential oils. This was followed by diclofenac-treated (37.14%), tea tree essential oil-treated (27.62%), and kaffir lime peel essential oil-treated mice (20.10%). A similar trend was observed after 24 hours of treatment, with the anti-inflammatory activity of combined essential oils-treated mice recorded at 46.74%, followed by diclofenac-treated (35.87%), tea tree essential oil-treated (24.97%) and kaffir lime peel essential oil-treated mice (11.97%). Conclusion: These findings confirm the synergistic anti-inflammatory effects of the combined essential oils-incorporated emulsion-based gel on the carrageenan-induced hind paw edema mouse model.

In vitro evaluation of the inhibitory capacity of three Trichoderma isolates on Ralstonia solanacearum

Bacterial wilt in bananas, caused by Ralstonia solanacearum or Moko, limits crop production and threatens Ecuador. This study evaluated Trichoderma isolates in laboratory conditions as an innovative alternative to ensure sustainability in banana production. The four R. solanacearum. isolates were obtained from banana plants exhibiting disease symptoms and were characterized through morphological and biochemical tests. Four treatments were evaluated: three isolates of fungi from the genus Trichoderma (Trichoderma viride, T. harzianum, T. asperellum) and one consisting of a combination of the three isolates above. The inhibitory capacity of the Trichoderma isolates on R. solanacearum colonies was measured. A completely randomized design with three replicates was used, and general linear and mixed models were employed, with qq-plot graphs for normality and residual plots for variance homogeneity. Furthermore, a Fisher's LSD test was conducted at a significance level of α = 0.05. In the biochemical tests, the bacterial isolates exhibited specific characteristics of R. solanacearum in two bacterial isolates. In the inhibition tests, treatment four and treatment one (consortium of the three Trichoderma isolates and Trichoderma viride) showed the highest inhibitory potential, with 76.07% and 61.19%, respectively. The consortium of Trichoderma isolates demonstrated the highest inhibitory potential against R. solanacearum, with day 10 being the time with the highest percentage of inhibition (72.61%). Keywords: Bacterial wilt, Ralstonia solanacearum, Trichoderma, inhibition

In vitro evaluation of the inhibitory capacity of three Trichoderma isolates on Ralstonia solanacearum

Bacterial wilt in bananas, caused by Ralstonia solanacearum or Moko, limits crop production and threatens Ecuador. This study evaluated Trichoderma isolates in laboratory conditions as an innovative alternative to ensure sustainability in banana production. The four R. solanacearum. isolates were obtained from banana plants exhibiting disease symptoms and were characterized through morphological and biochemical tests. Four treatments were evaluated: three isolates of fungi from the genus Trichoderma (Trichoderma viride, T. harzianum, T. asperellum) and one consisting of a combination of the three isolates above. The inhibitory capacity of the Trichoderma isolates on R. solanacearum colonies was measured. A completely randomized design with three replicates was used, and general linear and mixed models were employed, with qq-plot graphs for normality and residual plots for variance homogeneity. Furthermore, a Fisher's LSD test was conducted at a significance level of α = 0.05. In the biochemical tests, the bacterial isolates exhibited specific characteristics of R. solanacearum in two bacterial isolates. In the inhibition tests, treatment four and treatment one (consortium of the three Trichoderma isolates and Trichoderma viride) showed the highest inhibitory potential, with 76.07% and 61.19%, respectively. The consortium of Trichoderma isolates demonstrated the highest inhibitory potential against R. solanacearum, with day 10 being the time with the highest percentage of inhibition (72.61%). Keywords: Bacterial wilt, Ralstonia solanacearum, Trichoderma, inhibition

Antifungal Activity of Phyllospheric Bacteria Isolated from Coffea arabica against Hemileia vastatrix.

Peru is one of the leading countries that produce and export specialty coffees, favorably positioned in the international markets for its physical and organoleptic cup qualities. In recent years, yellow coffee rust caused by the phytopathogenic fungus Hemileia vastatrix stands out as one of the main phytosanitary diseases that affect coffee culture yields. Many studies have demonstrated bacteria antagonistic activity against a number of phytopathogen fungi. In this context, the aim of this work was to select and characterize phyllospheric bacteria isolated from Coffea arabica with antagonistic features against coffee rust to obtain biocontrollers. For that purpose, a total of 82 phyllospheric bacteria were isolated from two coffee leaf rust-susceptible varieties, typica and caturra roja, and one tolerant variety, catimor. Of all the isolates, 15% were endophytic and 85% were epiphytes. Among all the isolates, 14 were capable of inhibiting the mycelial radial growth of Mycena citricolor, and Colletotrichum sp. 16S rRNA gene sequence-based analysis showed that 9 isolates were related to Achromobacter insuavis, 2 were related to Luteibacter anthropi and 1 was related to Rodococcus ceridiohylli, Achromobacter marplatensis and Pseudomonas parafulva. A total of 7 representative bacteria of each group were selected based on their antagonistic activity and tested in germination inhibition assays of coffee rust uredinospores. The CRRFLT7 and TRFLT8 isolates showed a high inhibition percentage of urediniospores germination (81% and 82%, respectively), similar to that obtained with the chemical control (91%). An experimental field assay showed a good performance of both strains against rust damage too, making them a promising alternative for coffee leaf rust biocontrol.

Influence of Galvanized Steel on Kombucha Fermentation: Weight Loss Measurements, Scanning Electron Microscopy Analysis, Corrosion Activity, and Phytochemical Study

This study aimed to investigate the influence of galvanized steel coupons on black tea kombucha fermentation. As a secondary objective, the corrosion activity of the fermented medium at different stages of fermentation was investigated. The results revealed significant interactions among microorganisms, the metal, and the fermented medium. On one hand, mass loss measurement, scanning electron microscopy (SEM) analysis, and released zinc and iron ion analysis showed the deterioration of galvanized steel coupons. On the other hand, HPLC-RI analysis showed that the presence of steel coupons improved the kinetics of fermentation. The chemical composition and bioactivity of kombucha were also influenced by the presence of galvanized steel. The results showed the detection of eleven phenolic compounds by HPLC-DAD, including trihydroxyethylrutin, methyl 3,5-dihydroxybenzoate, and ethyl 4-hydroxy-3-cinamate, which were found only in kombucha in the presence of galvanized steel (K+GS). In addition, a total of 53 volatile compounds were detected by GC-MS before and after derivatization, including eleven constituents identified for the first time in K+GS. Concerning antioxidant activity, a higher percentage of inhibition against the DPPH radical was attributed to the ethyl acetate extract found in K+GS (IC50 = 8.6 µg/mL), which could suggest the formation of inhibitors. However, according to the electrochemical findings, the corrosion current density increased threefold during the fermentation process compared to acidified black tea, indicating that corrosion activity was promoted in the kombucha medium and suggesting several competing phenomena between corrosion and inhibition.

Lipase Enzyme Inhibitory Activity of Jombang Leaves Extract (Taraxacum officinale F.H. Wigg)

Background: Obesity is a condition that occurs due to an imbalance between energy intake and expenditure. Lipase enzymes play an important role in the process of fat metabolism, making it a target in obesity treatment strategies. Jombang plant has been used for generations as an alternative treatment for various diseases. The main content of secondary metabolite compounds in jombang plants are phenolics, flavonoids, terpenoids, and alkaloids. Objective: This study was conducted to determine the activity and potential inhibition of jombang plant (Taraxacum officinale F.H. Wigg.) against lipase enzyme in vitro. Materials and Methods: The phytochemical screening was determined by a color change reaction with certain reagents, while total phenolic content was carried out using Folin-Ciocalteau reagent spectrophotometrically. The inhibitory activity of 96% ethanol extract of jombang leaves as well as orlistat as positive control was measured by titration method and using olive oil substrate. The extract concentrations used were 125 ppm, 250 ppm, and 500 ppm. Results: Jombang leaf extract contains alkaloid, phenolic, flavonoid and terpenoid compounds qualitatively. Determination of total phenolic content in 96% ethanol extract of jombang leaves was obtained at 12.69 ± 0.91 mgGAE/g. The highest percentage of inhibition was found at a concentration of 500 ppm which amounted to 103.85%. The difference in the percentage of inhibition in all groups showed no significant difference (Sig>0.05). Conclusion: This study shows that jombang leaf extract is able to inhibit lipase enzyme activity with the highest percentage of inhibition was 103,85%.

Evaluation of Mustard oil and temperature in the toxicity reduction of Aspergillus flavus in Walnut fruits

The study aimed to isolate and identify fungi that produce mycotoxins from walnut fruits and the possibility of limiting their presence in the fruits and reducing their toxic effects. The molecular diagnosis in this study of the fungus Aspergillus flavus was carried out using the internal transcribed spacer (ITS) genetic marker. As for the results of testing the ability of some A. flavus isolates to produce aflatoxins B1 including the ammonia test, the results of this test showed the ability of four out (of six) isolates of A. flavus on the production of aflatoxin B1 by changing the color of the base of the coconut medium on which the fungus isolates are grown, with a percentage of 66.66 %. The results of the chemical analysis using TLC technology for Aspergillus flavus showed the ability of three isolates to produce aflatoxin B1 out of six isolates of A. flavus with a percentage of 50 %. As for the most important results of the effectiveness of mustard oil in inhibiting the growth of the fungus A. flavus in walnut fruits, the highest percentage of inhibition was at 15% concentration, which amounted to 57.33%. The most important results of the storage experiment after three months of storage, included the test of the effect of mustard oil and temperature on the growth and density of A. flavus. The test was the effect of mustard oil on the reduction ratio of aflatoxin B1 as it reached the highest percentage of toxin reduction when adding mustard oil only, which amounted to 98.213%, compared to other treatments, the test was the effect of mustard oil and temperature on the amount of aflatoxin B1 toxin, which gave the highest rate when adding A. flavus to walnuts, which amounted to 13.425 micrograms/ g,. At a temperature of 5 °C, it gave the lowest rate of aflatoxin B1 toxin, which was 0.880 µg.gm-1. The highest rate was 8.620 µg.gm-1, at 25°C.

Exploration of Pathogenic Microbes and Antagonistic Agents in Apple Production Centers in Malang Regency

The apple farming group is one of the built of Department of Plant Pests and Diseases, Agricultural Faculty, Brawijaya University. In 2019, this departmen received a request from apple farmers in Madiredo Village, Pujon District to held an assistance programs of apple cultivation and environmentally pest control. This is related with the increasing of fruit rot and other diseases which is caused a decrease of apple production especially in Malang Regency. In general, apple farmers still rely on disease control using chemical fungicides which can have a negative impact on the environment and create resistance to pathogenic fungi. Therefore, this research was carried out to explore and study the potential of biological agents in apple production centers in Malang Regency, specifically in Poncokusumo, Pujon, and Batu District on conventional fields and mixed fields. This research was held observationally through fields surveys and farmer interviews, took soil samples and disease samples then then isolating, identifying and testing for antagonism at laboratory. Based on interviews and observation of symptomology, two dominant diseases were found, namely fruit rot disease (Gloeosporium sp.) and marsonina leaf spot disease (Marssonina coronaria). The results of exploration of the rhizospheric apple plants obtained isolates on conventional fields in Kec. Pujon has the highest abundance of fungal colonies compared to other regions. Based on the results of the antagonism test for pathogenic fungi and biological agents, it was found that the isolate codes KH.C, KK.A, JK.B, JK.J, and BK.B had the highest percentage of inhibition or the most effective in controlling the pathogen Gloeosporium sp. So in the next, the species can be identified molecularly.

(4Z)-Lachnophyllum Lactone, a Metabolite with Phytotoxic and Antifungal Activity against Pests Affecting Mediterranean Agriculture: A New Versatile and Easy Scalable Parallel Synthesis.

A methodology for the total and modulable synthesis of (4Z)-lachnophyllum lactone (1), on a gram scale, is reported for the first time. The present work started with the design of a retrosynthetic pathway for the target compound, with the key step identified in Pd-Cu bimetallic cascade cross-coupling cyclization. (4Z)-Lachnophyllum lactone (1) is an acetylenic furanone previously isolated, in a low amount, from the organic extract of the autotrophic weedConyza bonariensis. Tested against the stem parasitic weed Cuscuta campestris in a seedling growth bioassay, (4Z)-lachnophyllum lactone (1) showed almost 85% of inhibitory activity up to 0.3 mM in comparison with the control. At the same concentration, the compound displayed radicle growth inhibitory activity of the root parasitic weeds Orobanche minor and Phelipanche ramosa higher than 70 and 40%, respectively. Surprisingly, the compound showed a high percentage of inhibition, up to 0.1 mM, on C. bonariensis seed germination too. This versatile synthetic strategy was also used to obtain two further natural analogues, namely, (4E)-lachnophyllum lactone (8) and (4Z,8Z)-matricaria lactone (9), that showed, in most cases, the same inhibitory trend with slight differences, highlighting the importance of the stereochemistry and unsaturation of the side chain. Furthermore, all of the compounds showed antifungal activity at 1 mM reducing the mycelial growth of the olive pathogen Verticillium dahliae. The design and implementation of scalable and modulable total synthesis on a gram scale of acetylenic furanones allow the production of a large amount of these natural products, overcoming the limit imposed by isolation from natural sources. The results of the present study pave the way for the development of ecofriendly bioinspired pesticides with potential application in agrochemical practices as alternative to synthetic pesticides.

Evaluation of antimicrobial effect of bacteriocin produced by Lactobacillus acidophilus utilizing molasses and corn steep liquor

Bacteriocins are antimicrobial peptides produced by lactic acid bacteria (LAB) which have emerged as safe bio-preservatives in the food industry. However, the conventional commercial medium used to promote bacteriocin production is often costly and impractical for industrial-scale production. This study aimed to explore the utilization of industrial by-products, specifically molasses and corn steep liquor (CSL), in fermentation medium for producing bacteriocin from Lactobacillus acidophilus. The produced bacteriocin was subsequently formulated into antimicrobial powder, and their inhibitory effects on two common foodborne pathogens, Escherichia coli O157 and Salmonella sp. S251, were examined. Among the various medium compositions tested, the highest percentage of inhibition against E. coli 0157 and Salmonella sp. S251 were achieved in the medium containing 10% (v/v) of molasses and 4% (v/v) of CSL. In the formulation of bacteriocin powder, the addition of 60% (w/v) of starch, combined with silicon dioxide, resulted in the shortest drying time. Moreover, the bacteriocin powder produced from 4-fold concentrated bacteriocin at a concentration of 10% (w/v) led to the highest antimicrobial activity against both pathogenic bacteria. Therefore, the efficient production of bacteriocin with remarkable inhibitory effects on foodborne pathogens from L. acidophilus is feasible by utilizing nutrient-rich and cost-effective molasses and CSL.

Identification of new pharmacophore against SARS-CoV-2 spike protein by multi-fold computational and biochemical techniques

COVID-19 appeared as a highly contagious disease after its outbreak in December 2019 by the virus, named SARS-CoV-2. The threat, which originated in Wuhan, China, swiftly became an international emergency. Among different genomic products, spike protein of virus plays a crucial role in the initiation of the infection by binding to the human lung cells, therefore, SARS-CoV-2’s spike protein is a promising therapeutic target. Using a combination of a structure-based virtual screening and biochemical assay, this study seeks possible therapeutic candidates that specifically target the viral spike protein. A database of ~ 850 naturally derived compounds was screened against SARS-CoV-2 spike protein to find natural inhibitors. Using virtual screening and inhibitory experiments, we identified acetyl 11-keto-boswellic acid (AKBA) as a promising molecule for spike protein, which encouraged us to scan the rest of AKBA derivatives in our in-house database via 2D-similarity searching. Later 19 compounds with > 85% similarity with AKBA were selected and docked with receptor binding domain (RBD) of spike protein. Those hits declared significant interactions at the RBD interface, best possess and excellent drug-likeness and pharmacokinetics properties with high gastrointestinal absorption (GIA) without toxicity and allergenicity. Our in-silico observations were eventually validated by in vitro bioassay, interestingly, 10 compounds (A3, A4, C3, C6A, C6B, C6C, C6E, C6H, C6I, and C6J) displayed significant inhibitory ability with good percent inhibition (range: > 72–90). The compounds C3 (90.00%), C6E (91.00%), C6C (87.20%), and C6D (86.23%) demonstrated excellent anti-SARS CoV-2 spike protein activities. The docking interaction of high percent inhibition of inhibitor compounds C3 and C6E was confirmed by MD Simulation. In the molecular dynamics simulation, we observed the stable dynamics of spike protein inhibitor complexes and the influence of inhibitor binding on the protein’s conformational arrangements. The binding free energy ΔGTOTAL of C3 (−38.0 ± 0.08 kcal/mol) and C6E (−41.98 ± 0.08 kcal/mol) respectively indicate a strong binding affinity to Spike protein active pocket. These findings demonstrate that these molecules particularly inhibit the function of spike protein and, therefore have the potential to be evaluated as drug candidates against SARS-CoV-2.

PHYTOCHEMICAL PROFILING, ANTIOXIDANT, ANTIDIABETIC, AND ADMET STUDY OF DIOSPYROS MESPILIFORMIS HOCHST. EX A. DC. (EBENACEAE) LEAF

Objective: This study aimed to carry out phytochemical profiling, antioxidant, antidiabetic, and ADMET study on the crude ethanol extract (CR) of Diospyros mespiliformis (DM) and its ethyl acetate (EEF) and aqueous fractions (AQF). Material and Method: The phytochemicals were identified by GC-MS. The antioxidant activity was determined in vitro and silico while the antidiabetic and ADMET were in silico. Result and Discussion: Exactly 54 and 44 compounds were respectively identified in the EEF and AQF. At 300 µg/ml, the CR demonstrated a significantly (p < 0.05) higher ascorbic acid equivalent (AAE) total antioxidant capacity (TAC) (73.59 ± 0.011 µg/ml) than the EEF (41.28 ± 0.003 µg/ml AAE) and AQF (31.28 ± 0.005 µg/ml AAE). The total reducing power (TRP) of the AQF (106.84 ± 3.46 µg/ml) was significantly (p <0.05) higher than the CR (93.23 ± 5.63 µg/ml AAE) and EEF (92.35 ± 6.96 µg/ml AAE) at 100 µg/ml. A significantly (p < 0.05) higher percentage inhibition (48.38% ± 4.61) was demonstrated by the EEF at 1 mg/ml in the ferric thiocyanate and a lower malonaldehyde concentration (0.75 ± 0.01 nmol/ml) in the thiobarbituric acid methods. The AQF demonstrated a significantly (p < 0.05) higher (82.72% ± 1.88) peroxide scavenging activity at 100 µg/ml than the CR (33.33% ± 2.16) and EEF (63.64% ± 2.66). Compound VII exhibited the lowest binding affinity (BA) and inhibition constant (Ki) of -8.8 kcal/mol and 0.35 µM, respectively with xanthine oxidase and -8.0 kcal/mol and 1.35 µM, respectively with NADH oxidase. X exhibited the lowest BA (-8.5 kcal/mol) and Ki (0.58 µM) interacting with CytP450 21A2. Compound III exhibited the lowest BA (-7.5 kcal/mol) and Ki (3.14 µM) with PTP1B while compound X had BA and Ki values of -8.5 kcal/mol and 0.58 µM, respectively with PPARγ. The result of ADMET showed some of the compounds might be strong candidates for antioxidant and antidiabetic drugs. All the extracts possess significant antioxidant activity and some of the identified compounds might be candidates for novel antioxidants and antidiabetic drugs.

Evaluation of Antifungal Activity of Plant Extracts against Papaya Anthracnose (Colletotrichum gloeosporioides) under In-vitro Condition

The study aimed to assess the effectiveness of various plant extracts against Colletotrichum gloeosporioides in papaya. This investigation employed a completely randomized design and took place at the College of Agriculture in Pune-05 during the academic year 2021-22.Among the six plant extracts tested, garlic (Allium sativum) was found to be superior to the rest, exhibiting the minimum mycelium growth (5.30 mm) and the highest percentage inhibition (94.11%) at a 20% concentration. However, the drumstick leaf (Moringa oleifera) extract was the least effective, with the maximum radial mycelial growth of 44.00 mm (51.11% inhibition) observed. The study indicates that the radial mycelial growth of Colletotrichum gloeosporioides decreases with rise in the concentration of plant extracts.

One-Pot Biopreparation of Trimetallic ZnO–MgO–CuO Nanoparticles: Enhanced Cytotoxicity, Antibacterial Activities and Molecular Docking Studies

Nowadays, metal oxide nanoparticles (MO NPs) are powerful tools for biological applications due to their distinctive features. Moreover, the biological efficacy of multimetallic NPs is more fascinating because of their structural modifications and synergistic effects. This study utilized the one-pot green route to fabricate trimetallic ZnO-MgO-CuO (ZMC) NPs employing a greener reducing agent from Artemisiaabyssinica leaf extract (AALE). The crystal structure, size, compositions, shapes, and external topology of ZMC NPs were characterized by Fourier transform infrared (FTIR), UV–Visible (UV–vis), X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), and transmission electron microscopy combined with selected area electron diffraction (TEM/HRTEM-SAED). The outcomes suggested that the bio-prepared ZMC NPs are highly crystalline and have hexagonal structures lattice with monoclinic symmetry and spherical morphology with average crystalline and particle sizes of 14.67 and 15.13 nm, respectively. Using MTT assay, the bio-prepared ZMC NPs demonstrated high inhibition percentage (94.37 ± 0.14 at 250 mg/mL) with an IC50 value of 24.83 mg/mL for MCF-7 cell lines. The in-vitro antibacterial potential of ZMC NPs has been evaluated against four bacterial (Gram-positive and Gram-negative) strains and has demonstrated the highest inhibition zone (35 ± 0.03 mm) against the S. aureus strain and the lowest inhibition zone (31 ± 0.11) against the E. coli strain. Moreover, ZMC NPs have also shown strong molecular binding interactions with amino acids of estrogen receptor (ERα), S. aureus, and E. coli with binding energies of − 9.85, − 12.31, and − 6.04 kcal/mole, respectively.Graphical