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Pyran-4-one and chromenone are well known bioactive compounds, particularly antimicrobial activity. Present study investigation antibacterial activity of pyranone connected chromenone ...derivatives in one compound core. New synthesis of pyrano3,2-gchromene-4,6-dione derivatives were synthesized via catalysis free eco-friendly method. Synthesized compounds were characterized by FTIR, 1H NMR, 13C NMR, and mass spectral analysis. An entirely new synthesis of pyrano3,2-gchromene-4,6-dione derivatives (1a–o) was studied for their in vitro antibacterial properties. The gram-positive bacterium B. cereus was thought to be the most sensitive of the studied microorganisms, and compounds 1f, 1g, 1k, 1l, and 1o demonstrated the best antibacterial action. The results of the antibacterial activities would suggest that 1g was more effective against B. cereus (MIC: 0.5 μg/mL) than other compounds and Ciprofloxacin (MIC: 2 μg/mL). Against B. cereus bacterial pathogens, compound 1g demonstrated exceptional antibacterial activity. The compound 1g and Ciprofloxacin docked with 5V8E protein action of compound 1g (-7.2 kcal/mol) and Ciprofloxacin (-3.2 kcal/mol) is quite potent, and it also showed greater binding affinity. DFT calculation was well support the performance of energy gap between low and highly active compounds for 1k (ΔE gap = 0.15 eV) and 1g (ΔE gap = 0.16 eV), respectively. The lead molecules were used for antibacterial agent.
The severe acute respiratory syndrome coronavirus, identified as SARS-CoV-2, initially established in Wuhan, China at the end of 2019, affects respiratory infections known as COVID-19. In an ...extraordinary manner, COVID-19 is affecting human life and has transformed a global public health issue into a crisis. Natural products are already recognized owing to the massive advantageous window and efficient antioxidant, antiviral immunomodulatory, and anti-inflammatory belongings. Additionally, the object of the present study was to demonstrate the inhibitory potential of the natural products coumarins and its analogues alongside SARS coronavirus. The present work, focuses on the synthesis of new coumarin analogues and characterized by FT-IR, 1H and 13C NMR, elemental analyses, and mass spectra. The recently synthesised compounds were projected conceptual association for COVID-19 protease and also to explore in anticipation if this protein will help target protease inhibitor drugs such as Calanolide A, Cardatolide A, Collinin, Inophyllum A, Mesuol, Isomesuol, Pteryxin, Rutamarin, Seselin and Suksdorin. The natural coumarin analogues docking scores were compared to standard Hydroxychloroquine. While the 3D module of SARS coronavirus main protease was predicted with the SWISS MODEL web server, as well as biochemical interaction tests were performed with the AutoDock Vina tool between the target protein with ligands. This research further showed that all the protease inhibitors accessed the target protein with negative dock energy. Molecular docking studies found that the natural coumarin analogue Inophyllum A showed an exceptional potential for inhibition with a binding energy of −8.4 kcal/mol. The synthetic coumarin analogues 1m and 1p both demonstrated a similar binding energy, inhibition potential of −7.9 kcal / mol as opposed to hydroxychloroquine and co-crystallized ligand alpha-ketoamide with binding energy values of −5.8 and −6.6 kcal / mol. All compounds evaluated were known as drug-like in nature, passing Lipinski's “Law of 5” with 0 violations except for alpha-ketoamide, passing Lipinski's “Rule of 5” with 1 violation (MW > 500). The inhibitor binding in silico research thus offers a structural understanding of COVID-19 and molecular interactions across the known protease inhibitors centred on the findings of the multiple sequence alliance.
This study aimed to determine the extent of contribution of dopamine to antioxidant and anti-tyrosinase activities, by dopamine addition to vanillin. This study achieved the synthesis of ...dopamine-associated vanillin Mannich base derivatives prepared via a one-step reaction involving a green chemistry approach, and investigation of antioxidant and anti-tyrosinase activities.
Novel one-pot synthesis of Mannich base dopamine-connected vanillin (
) derivatives can be achieved via green chemistry without using a catalyst. Newly-prepared compounds were characterised with FTIR and NMR (
H and
C) spectra, mass spectra, and elemental analyses. In total, 12 compounds (
) were synthesised and their antioxidant and anti-tyrosinase activities evaluated. Antioxidant activities of 2,2-diphenyl-1-picrylhydrazyl (DPPH), nitric oxide (NO), hydrogen peroxide (H
O
), and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), and diammonium assays, ABTS
radical scavenging, and linoleic acid peroxidation were used to screen all synthesised compounds (
) for anti-tyrosinase activities and cytotoxicity against MCF-7 and Vero cell lines;.
The compound
inhibited (IC
:11.02µg/mL) the DPPH-scavenging activity to a greater extent than the standard BHT (IC
:25.17µg/mL), and showed high activity in H
O
and NO scavenging assays. Compound
was more potent (96.21%) against ABTS and compound
was more potent (95.28%) against 2,2'-azobis(2-amidinopropane)dihydrochloride antioxidant than the standard trolox. All synthesised compounds were screened for anti-tyrosinase inhibitory activity. Compound
had higher activity against tyrosinase (IC
=10.63 µg/mL), than kojic acid (IC
=21.52µg/mL), and was more cytotoxic (GI
0.01µM) against MCF-7 cell line than the doxorubicin standard and other tested compounds.
In this study, all compounds were found to possess significant antioxidant and anti-tyrosinase activities. Compounds
and
performed well, compared with other compounds, in all assays. In addition, this study successfully identified several promising molecules that exhibited antioxidant and anti-tyrosinase activities.
In this work, we synthesize the sulfonated Schiff bases of the chitosan derivatives 2a-2j without the use of a catalyst in two moderately straightforward steps with good yield within a short reaction ...time. The morphology and chemical structure of chitosan derivatives were investigated using FT-IR, NMR (
H-
C), XRD, and SEM. Furthermore, our chitosan derivatives were tested for their anticancer activity against the MCF-7 cancer cell line, and doxorubicin was used as a standard. In addition, the normal cell lines of the breast cancer cell MCF-10A, and of the lung cell MRC-5 were tested. Compound 2 h, with a GI
value of 0.02 µM for MCF-7, is highly active compared with the standard doxorubicin and other compounds. The synthesized compounds 2a-2j exhibit low cytotoxicity, with IC
> 100 μg/ml, against normal cell lines MCF-10A, MRC-5. We also provide the results of an
study involving the Methoxsalen protein (1Z11). Compound 2h exhibits a higher binding affinity for 1Z11 protein (-5.9 kcal/mol) and a lower binding affinity for Doxorubicin (-5.3 kcal/mol) than certain other compounds. As a result of the aforementioned findings, the use of compound 2h has an anticancer drug will be researched in the future.
The grindstone process, which uses tyrosinase as a catalyst, was used to create analogues of geranylacetone. Tyrosinase was used to prepare the Mannich base under favourable reaction conditions, ...resulting in a high yield. All synthesized compounds were characterized using FTIR, Nuclear magnetic resonance, and mass spectral analyses. The active geranylacetone derivatives (
) were investigated for larvicidal activity against
; compound
(LD
:20.7 μg/mL) was noticeably more effective than geranylacetone (LD
: >100 μg/mL) and permethrin (LD
: 24.4 μg/mL) lead compounds because of their ability to kill larvae and use them as pesticides. All compounds
were found to be low toxic, whereas compounds
, and
were screened for antifeedant screening of non -aquatic target for the toxicity measurement against marine fish
at 100 μg/mL caused 0% mortality in within 24 h. Molecular docking studies of synthesised compound
and permethrin docked with 3OGN, compound
demonstrated a greater binding affinity (-9.6 kcal/mol) compared to permethrin (-10.5 kcal/mol). According to these results, the newly synthesised geranylacetone derivatives can serve as lead molecules of larvicides agents.
The purpose of this study is to develop a new pyrimidine-2,4-dione hybrid with 2H-thiopyran molecules as a potential antibacterial and antifungal agents against clinical pathogens that cause ...infectious diseases, in addition to conducting the cytotoxic screening.
The synthesis of 2H-thiopyran connecting pyrimidine-2,4-dionederivatives was carried out in a medium consisting of water with an Mg(II) acetate catalyst. The antimicrobial activity of all synthesized compounds was tested against Gram-positive (Staphylococcus aureus (ATCC-25923), Enterococcus faecalis (clinical isolate), and Gram-negative (Klebsiella pneumoniae (clinical isolate), Escherichia coli (ATCC-2522), and Pseudomonas aeruginosa) bacteria. Antifungal activity was examined in vitro using Aspergillus niger, Candida albicans, Microsporum audouinii, and Cryptococcus neoformans as test organisms (clinical isolates). Cytotoxic assay was also performed in vitro at various concentrations.
The highly active compound in this study was 3-((2,6-di(furan-2-yl)dihydro-2H-thiopyran-4(3H)-ylidene)amino)dihydropyrimidine-2,4(1H,3H)-dione which exhibited the lowest MIC value (8 µg/mL) with broad activity against one Gram-positive and three Gram-negative. The compound, 3-((2,6-di(furan-2-yl)dihydro-2H-thiopyran-4(3H)-ylidene)amino)dihydropyrimidine-2,4(1H,3H)-dione showed least MIC value (MIC: 0.25 µg/mL) against C. albicans. The compound 3-((2,6-bis(4-hydroxyphenyl)dihydro-2H-thiopyran-4(3H)-ylidene)amino)dihydro pyrimidine-2,4(1H,3H)-dione was highly active (GI50 0.03 µm) against HeLa cancer cell lines.
The overall results indicated that a successful preparation of a few of the promising molecules, which are antimicrobials well as cytotoxicity has been achieved.
In this study, rifaximin with copper (Cu) and copper oxide (CuO) nanoparticles (NPs) were synthesised. The resultant CuO nanoparticles were used to degrade Rhodamine B (RhB) and Coomassie Brilliant ...Blue (G250). Rifaximin copper and copper oxide nanoparticles were characterised using Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), ultraviolet–visible spectroscopy (UV), X-ray Photoelectron Spectroscopy (XPS), Transmission Electron Microscopy (TEM), and gas chromatography-electrochemical mass spectrometry (GC-EI-MS). An FT-IR study confirmed the formation of Cu in the 562 cm-1 peak range. Rifaximin Cu and CuO Nanoparticles displayed UV absorption peaks at 253 nm and 230 nm, respectively. Coomassie Brilliant Blue G250 was completely decolourised in Cu nanoparticles at 100 %, and Rhodamine B was also decolourised in Rifaximin CuO nanoparticles at 73 %, although Coomassie Brilliant Blue G250 Rifaximin Cu nanoparticles absorbed a high percentage of dye decolorization. The aerobic oxidation of isopropanol conversion was confirmed by GC-MS analysis. Retention time of 27.35 and 30.32 was confirmed using Cu and CuO nanoparticles as the final products of 2-propanone. It is used in the textile and pharmaceutical industries for aerobic alcohol oxidation. Rifaximin CuO nanoparticles highly active in aerobic oxidation. The novelty of this study is that, for the first time, rifaximin was used for the synthesis of copper and copper oxide nanoparticles, and it successfully achieved decolorization and aerobic oxidation.
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Objective:To explore the in vitro antimicrobial potential of Holigarna arnottiana(H.arnottiana)against human and shrimp pathogenic bacteria and use GC-MS analysis to elucidate its antimicrobial ...principles.Methods:In the present study,organic extract of H.arnottiana was examined for in vitro antimicrobial potency against five clinical human pathogens,seven species of human type culture pathogens,six pathogenic Vibrio strains isolated from moribund tiger shrimp(Penaeus monodon)and seven type cultures(Microbial Type Culture Collection,MTCC)of prominent shrimp pathogens.Results:The extraction of H.arnottiana with ethyl acetate yielded bioactive crude extract that efficiently repressed the growth of all tested pathogens.Among the pathogens tested,shrimp pathogens were the most susceptible organisms while clinical pathogens were found to be a little resistant.The chemical constituents of the H.arnottiana were analysed by GC-MS which revealed the presence of major compounds such as 3,7.1 l,15-tetramethyl-2-hexadecen-l-ol(42.1%),l-lodo-2-methylundecane(34.4%)and squalene(11.1%)which might have a functional role in the chemical defence against microbial invasion.Conclusions:Based on the finding it could be inferred that H.arnottiana would be a reliable source for developing shrimp and human bio-therapeutics in future.
In this work, bis-(N-aminoethylethanolamine)-Copper (II) nano (AEEA-Cu(II)-NPs) catalysis was synthesized and used as a catalyst in Biginelli reactions. Synthesized nanocatalysis was characterized by ...UV, FT-IR, XRD, SEM, and particle size distribution analysis. The title compounds of thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide derivatives (1a-1o) were synthesized via Biginelli method, the reaction was carry out via AEEA-Cu(II)-NPs catalysis. Synthesized compounds (1a-1o) were characterized by FT-IR, 1H NMR, 13C NMR, mass spectrometry, and elemental analysis. The spectral data of compound 1a was confirmed by the comparison of both experimental and theoretical values. GC-EI-MS analysis of the characteristic protonation pathways for GC-EI-MS fragmentation of synthetic 2-thioxo-pyrimidine-5-carboxamide derivatives is reported. Computing methods of compound 1a was studied such as optimize the geometry, frontier molecular orbital analysis (HOMO-LUMO), and molecular electrostatic potential (MESP). In cytotoxicity screening, compounds were tested against. Cell lines 2HepG2 (liver), MCF-7 (breast), and HeLa (cervical) cancer cell lines. Molecular docking was used to determine the inter and intramolecular interactions. In order to determine the most effective pyrimidine derivatives (1f and 1 g) for the protein 4FM9, and Autodock Vina 1.1.2 software was used in conjunction with the binding mode of fluorouracil as a reference compound. The compounds 1f and 1g were extremely effective against HepG2 cells compared to fluorouracil. During docking studies, 1f showed a higher attraction for the 4FM9 protein (−6.5 kcal/mol) than fluorouracil (−5.4 kcal/mol). The compounds 1f, and 1g showed impressive inhibitory properties in cytotoxic screening as compared to the reference compound. Due to the docking studies and cytotoxicity screening results, the new compounds look promising as therapeutic agents.
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