scholarly journals An Eco-Friendly Technique: Solvent-Free Microwave Synthesis and Docking Studies of Some New Pyridine Nucleosides and Their Pharmacological Significance

Molecules ◽  
2019 ◽  
Vol 24 (10) ◽  
pp. 1969 ◽  
Author(s):  
Majed Alrobaian ◽  
Sana Al Azwari ◽  
Amany Belal ◽  
Hany A. Eldeab
Keyword(s):  
Research Work ◽  
2D Nmr ◽  
Docking Studies ◽  
Microwave Assisted Synthesis ◽  
Bacterial Strains ◽  
Chemical Structures ◽  
Pharmacological Significance ◽  
Ft Ir ◽  
High Yields ◽  
New Compounds

Two series of novel 5-arylazo-3-cyano-2-(2″,3″,4″,6″-tetra-O-acetyl-β-d-galacto pyranosyloxy) pyridines and 3-cyano-2-(2″,3″,4″,6″-tetra-O-acetyl-β-d-galactopyranosyloxy) pyridines were synthesized in high yields utilizing a microwave-assisted synthesis tool guided by the principles of green chemistry. The chemical structures of the new substances were confirmed on the basis of their elemental analysis and spectroscopic data (FT-IR, 1D, 2D-NMR). Activity against different bacterial strains was studied. The anticancer potential of the new compounds is also discussed. Molecular docking was used as a tool in this research work to get better insight into the possible interactions, affinities, and expected modes of binding of the most promising derivatives of the potential chemotherapeutic target (DHFR).

scholarly journals Microwave-Assisted Synthesis, Characterization, Antimicrobial and Antioxidant Activity of Some New Isatin Derivatives

2013 ◽  
Vol 2013 ◽  
pp. 1-7 ◽  
Author(s):  
G. Kiran ◽  
T. Maneshwar ◽  
Y. Rajeshwar ◽  
M. Sarangapani
Keyword(s):  
Antioxidant Activity ◽  
Free Radical ◽  
Radical Scavenging ◽  
Microwave Assisted Synthesis ◽  
Stable Free Radical ◽  
Ft Ir ◽  
Antimicrobial And Antioxidant Activity ◽  
New Compounds ◽  
Isatin Derivatives

A series of β-Isatin aldehyde-N,N′-thiocarbohydrazone derivatives were synthesized and assayed for theirin vitroantimicrobial and antioxidant activity. The new compounds were characterized based on spectral (FT-IR, NMR, MS) analyses. All the test compounds possessed a broad spectrum of activity having MIC values rangeing from 12.5 to 400 μg/ml against the tested microorganisms. Among the compounds3e,3jand3nshow highest significant antimicrobial activity. The free radical scavenging effects of the test compounds against stable free radical DPPH (α,α-diphenyl-β-picryl hydrazyl) and H2O2were measured spectrophotometrically. Compounds3j,3n,3l, and3e, respectively, had the most effective antioxidant activity against DPPH and H2O2scavenging activity.

scholarly journals 5-((8-Hydroxyquinolin-5-yl)diazenyl)-3-methyl-1H-pyrazole-4-carboxylic Acid

Molbank ◽  
10.3390/m1238 ◽  
2021 ◽  
Vol 2021 (2) ◽  
pp. M1238
Author(s):  
Ion Burcă ◽  
Valentin Badea ◽  
Calin Deleanu ◽  
Vasile-Nicolae Bercean
Keyword(s):  
Chemical Structure ◽  
Functional Group ◽  
Coupling Reaction ◽  
2D Nmr ◽  
Azo Coupling ◽  
2D Nmr Spectroscopy ◽  
Azo Compound ◽  
Ft Ir ◽  
New Compounds ◽  
Carboxylic Functional Group

A new azo compound was prepared via the azo coupling reaction between 4-(ethoxycarbonyl)-3-methyl-1H-pyrazole-5-diazonium chloride and 8-hydroxyquinoline (oxine). The ester functional group of the obtained compound was hydrolyzed and thus a new chemical structure with a carboxylic functional group resulted. The structures of the new compounds were fully characterized by: UV–Vis, FT-IR, 1D and 2D NMR spectroscopy, and HRMS spectrometry.

scholarly journals Design, Synthesis and Biological Evaluation of Novel Benzothiazole Based [1,2,4]Triazolo[4,3-c]quinazoline Derivatives

2020 ◽  
Vol 32 (3) ◽  
pp. 580-586
Author(s):  
Ranjit V. Gadhave ◽  
Bhanudas S. Kuchekar
Keyword(s):  
Biological Evaluation ◽  
Bacterial Strains ◽  
Active Compounds ◽  
Design Synthesis ◽  
Structural Modifications ◽  
E Coli ◽  
Chemical Structures ◽  
Ft Ir ◽  
Antioxidant Agent

A new series of N-(benzo[d]thiazol-2-yl)-[1,2,4]triazolo[4,3-c]quinazoline-5-carboxamide derivatives were synthesized by condensation of [1,2,4]triazolo[4,3-c]quinazoline-5-carboxylate derivatives with substituted benzothiazoles. The chemical structures of the synthesized compounds were confirmed by FT-IR, MS and 1H NMR spectra. Designed triazoloquinazoline derivatives were docked with oxido-reductase enzyme (PDB Code 4h1j) and DNA gyrase enzyme (PDB Code 3g75). Based on high binding affinity score, the best compound were selected for synthesis and subjected to in vitro antioxidant and antibacterial activity. Compounds 7a and 7d were found to be most active compounds as antioxidant agent among this series when compared with ascorbic acid. Compounds 7a, 7d and 7f were found to be most active compounds as an antibacterial agents among this series when compared with ciprofloxacin against bacterial strains such as S. aureus (ATCC 25923), E. coli (ATCC 25922) and P. aeruginosa (ATCC 27853). Study revealed that the most active compounds after structural modifications can be exploited as lead molecules for other pharmacological activities such as anti-inflammatory, anticancer and antidepressant activities.

scholarly journals Synthesis and Characterization of Cobalt(III) and Copper(II) Complexes of 2-((E)-(6-Fluorobenzo[d]thiazol-2-ylimino) methyl)-4-chlorophenol: DNA Binding and Nuclease Studies—SOD and Antimicrobial Activities

2018 ◽  
Vol 2018 ◽  
pp. 1-15 ◽  
Author(s):  
K. Savithri ◽  
B. C. Vasantha Kumar ◽  
H. K. Vivek ◽  
H. D. Revanasiddappa
Keyword(s):  
Metal Complexes ◽  
Antimicrobial Activities ◽  
Spectroscopic Studies ◽  
Docking Studies ◽  
Bacterial Strains ◽  
Spectral Techniques ◽  
Light Reduction ◽  
Drug Candidates ◽  
Ft Ir

A bidentate (N- and O-) imine-based ligand (L1) and its metal complexes of types [CuII(L1)2] (C1), [CuII(L1)(Phen)] (C2), [CoIII(L1)2] (C3), and [CoIII(L1)(Phen)] (C4) (L1 = 2-((E)-(6-fluorobenzo[d]thiazol-2-ylimino)methyl)-4-chlorophenol and phen = 1,10-phenanthroline) were synthesized as potential chemotherapeutic drug candidates. The prepared complexes were structurally characterized by spectral techniques (NMR, FT-IR, LC-MS, EPR, and electronic absorption), thermogravimetric analysis (TGA/DTA), magnetic moment, and CHNO elemental analysis. Spectroscopic studies suggested the distorted octahedral structure for all complexes. In vitro bioassay studies include binding and nuclease activities of the ligand and its complexes with target calf thymus- (CT-) DNA were carried out by employing UV-Vis, fluorescence spectroscopy, viscosity, and gel electrophoresis techniques. The extent of binding propensity was determined quantitatively by Kb and Ksv values which revealed a higher binding affinity for C2 and C4 as compared to C1 and C3. In addition, the scavenging superoxide anion free radical (O∙-2) activity of metal complexes was determined by nitroblue tetrazolium (NBT) light reduction assay. Molecular docking studies with DNA and SOD enzyme were also carried out on these compounds. The antimicrobial study has shown that all the compounds are potential antibacterial agents against Gram-negative bacterial strains and better antifungal agents with respect to standard drugs used.

scholarly journals Oxygenated Acyclic Diterpenes with Anticancer Activity from the Irish Brown Seaweed Bifurcaria bifurcata

Marine Drugs ◽  
2020 ◽  
Vol 18 (11) ◽  
pp. 581
Author(s):  
Vangelis Smyrniotopoulos ◽  
Christian Merten ◽  
Daria Firsova ◽  
Howard Fearnhead ◽  
Deniz Tasdemir
Keyword(s):  
Cell Line ◽  
Brown Seaweed ◽  
Cancer Cell Line ◽  
Structural Diversity ◽  
Chemical Study ◽  
2D Nmr ◽  
Chemical Structures ◽  
Bifurcaria Bifurcata ◽  
Ic50 Values ◽  
Ft Ir

Brown alga Bifurcaria bifurcata is a prolific source of bioactive acyclic (linear) diterpenes with high structural diversity. In the continuation of our investigations on Irish brown algae, we undertook an in-depth chemical study on the n-hexanes and chloroform subextracts of B. bifurcata that led to isolation of six new (1–6) and two known (7–8) acyclic diterpenes. Chemical structures of the compounds were elucidated by a combination of 1D and 2D NMR, HRMS, FT-IR, [α]D and vibrational circular dichroism (VCD) spectroscopy. Compounds 1–8, as well as three additional linear diterpenes (9–11), which we isolated from the same seaweed before, were tested against the human breast cancer cell line (MDA-MB-231). Several compounds moderately inhibited the growth of the MDA-MB-231 cell line with IC50 values ranging from 11.6 to 32.0 μg/mL. The present study carried out on the lipophilic extracts of the Irish B. bifurcata shows the enormous capacity of this seaweed to produce a large palette of acyclic diterpenes with diverse oxygenation and substitution patterns and promising bioactivities.

scholarly journals Docking studies, synthesis, characterization, and cytotoxicity activity of new bis-chalcones derivatives

2021 ◽  
Vol 8 (4) ◽  
pp. 4294-4305
Author(s):  
Mohammad Murwih Alidmat ◽  
Melati Khairuddean ◽  
Salizawati Muhamad Salhimi ◽  
Mohammad Al-Amin
Keyword(s):  
Inhibitory Concentration ◽  
Data Bank ◽  
2D Nmr ◽  
Docking Studies ◽  
Standard Drug ◽  
Discovery Studio ◽  
Cytotoxicity Activity ◽  
Diphenyl Tetrazolium Bromide ◽  
New Compounds ◽  
Mcf 7

Introduction: A bis-chalcones were prepared by the reaction of terephthalaldehyde with 3-acetyl-2,5-dichlorothiophene or 3-acetyl- 5-chlorothiophene and reaction cyclo ketone derivatives with phenyl aldehyde derivatives in good yields. Methods: The molecular docking studies were conducted using the Discovery Studio (DSv4.5) and MG. Tools installed in Window 10. The cancer receptor (3ERT) was downloaded from the protein data bank (PDB). All new compounds were characterized by IR, 1H-NMR, 13C-NMR, 2D-NMR, and CHN elemental analysis. The anticancer activity of the synthesized compounds was determined using MTT (3-(4, 5- dimethylthiazol-2-yl)-2, 5-diphenyl tetrazolium bromide) reduction assay against MCF-7 cells, and then the minimum inhibitory concentration (IC50) was determined with the reference of the standard drug tamoxifen. Results: The results showed that compound 6 showed more potent activity in inhibiting growth on both types of MCF-7 compared to reference tamoxifen.    

A NEW NAPHTHYL SUBSTITUTED Β-SITOSTEROL AND FATTY ACIDS FROM THE BARK OF FICUS RELIGIOSA L.

INDIAN DRUGS ◽  
2017 ◽  
Vol 54 (07) ◽  
pp. 18-22
Author(s):  
A. Ali ◽  
◽  
M. Jameel ◽  
M Ali
Keyword(s):  
Fatty Acids ◽  
Skin Diseases ◽  
Decanoic Acid ◽  
2D Nmr ◽  
Stem Bark ◽  
Gastric Ulcers ◽  
Ficus Religiosa ◽  
Phytochemical Investigation ◽  
Ft Ir ◽  
New Compounds

The stem bark of the holy tree Ficus religiosa L. (family: Moraceae) is traditionally prescribed to treat anxiety, hiccup, burns, scabies and skin diseases, vomiting, gastric ulcers, haemorrhoids, diarrhoea, dysentery, glandular swellings of the neck, gonorrhoea, urinogenital disorders, toothache and for strengthening the gums. Phytochemical investigation of a methanolic extract of the stem bark yielded a β-steryl naphthyl ester, characterized as naphthyl-1',3'-diol-1'-β-sitosteryl-3'-octadec-9′′, 12′′-dienoate (1) and two fatty acids identified as 2β,3β,4β,5β-tetrahydroxy-n-octanoic acid (2) and 2β,3β,4β,5β- tetrahydroxy-n-decanoic acid (3). The structure of isolated compounds was established on the basis of 1D and 2D NMR, FT-IR, UV, and MS data and chemical means. The finding enhance the phytochemical nature of F. religiosa. These new compounds have been isolated for the first time from this plant and may play an important role as chromatographic markers for standardization of crude bark and its marketed herbal formulations.

Two highly acetylated sterols from the marine sponge Dysidea sp.

2017 ◽  
Vol 72 (1) ◽  
pp. 49-52 ◽  
Author(s):  
Yu Lu ◽  
Ming Zhao
Keyword(s):  
High Resolution ◽  
Mass Spectroscopy ◽  
2D Nmr ◽  
Antimicrobial Activities ◽  
Marine Sponges ◽  
Bacterial Strains ◽  
Chemical Structures ◽  
Spectroscopic Analyses ◽  
Impact Mass

AbstractTwo new highly acetylated steroids, named dysiroid A (1) and dysiroid B (2), together with a known compound (3) were isolated from the marine sponges Dysidea sp. The chemical structures of 1 and 2 were elucidated by spectroscopic analyses including 1D and 2D NMR experiments and high-resolution electrospray impact mass spectroscopy. Their in vitro antimicrobial activities against a panel of bacterial strains were evaluated. Compounds 1 and 2 showed potent activity against some of the strains with minimum inhibitory concentrations ranging from 4 to 8 μg mL−1.

scholarly journals Chemical Constituents of Cassia abbreviata and Their Anti-HIV-1 Activity

Molecules ◽  
2021 ◽  
Vol 26 (9) ◽  
pp. 2455
Author(s):  
Xianwen Yang ◽  
Zhihui He ◽  
Yue Zheng ◽  
Ning Wang ◽  
Martin Mulinge ◽  
...  
Keyword(s):  
Palmitic Acid ◽  
Crude Extract ◽  
Chemical Constituents ◽  
2D Nmr ◽  
Chemical Structures ◽  
Spectroscopic Analyses ◽  
Ic50 Values ◽  
New Compounds ◽  
Anti Hiv ◽  
Hiv 1

Three new (1–3) and 25 known compounds were isolated from the crude extract of Cassia abbreviata. The chemical structures of new compounds were established by extensive spectroscopic analyses including 1D and 2D NMR and HRESIMS. Cassiabrevone (1) is the first heterodimer of guibourtinidol and planchol A. Compound 2 was a new chalcane, while 3 was a new naphthalene. Cassiabrevone (1), guibourtinidol-(4α→8)-epiafzelechin (4), taxifolin (8), oleanolic acid (17), piceatannol (22), and palmitic acid (28), exhibited potent anti-HIV-1 activity with IC50 values of 11.89 µM, 15.39 µM, 49.04 µM, 7.95 µM, 3.58 µM, and 15.97 µM, respectively.

Antidiabetic and Anticholinesterase Properties of Extracts and Pure Metabolites of Fruit Stems of Pistachio (Pistacia vera L.)

2020 ◽  
Vol 24 (7) ◽  
pp. 785-797
Author(s):  
Yabo Dambagi Lawali ◽  
Akyuz Mehmet ◽  
Aydin Tuba ◽  
Cakir Ahmet
Keyword(s):  
Shikimic Acid ◽  
Ethanol Extract ◽  
2D Nmr ◽  
Inhibitory Effect ◽  
Chemical Structures ◽  
Ic50 Values ◽  
Ft Ir ◽  
High Concentrations ◽  
Ethanol Extracts ◽  
Anticholinesterase Properties

: Five metabolites were isolated by chromatographic methods from the fruit stems of P. vera and their chemical structures were characterized as masticadienonic acid (1), tirucallol (2), masticadienolic acid (3), pistachionic acid (4) and inulobiose (5) via FT-IR, 1H-NMR, 13C-NMR, 1D-NMR and 2D-NMR. Pistachionic acid (4), a new shikimic acid derivative, was isolated from the ethanol extract for the first time. The hexane, chloroform, ethanol extracts and pure metabolites exhibited antidiabetic properties by inhibiting α- glycosidase and α-amylase enzymes at different rates. Their inhibitory effects against the α- glycosidase enzyme were also higher than that of the acarbose (IC50=10.30 mg/mL). Masticadienolic acid (3) (IC50=0.03 mg/mL), masticadienonic acid (1) (IC50=0.13 mg/mL) and hexane extract (IC50=0.09 mg/mL) with the lowest IC50 values were found to be most active substances. Nevertheless, the inhibitory effect of acarbose against the α-amylase enzyme was determined to be higher than the inhibition effects of the extracts and pure metabolites. According to the IC50 values, the best inhibitors against the α-amylase were ethanol extract (IC50=5.17 mg/mL), pistachionic acid (4) (IC50=7.35 mg/mL), tirucallol (2) (IC50=7.58 mg/mL) and masticadienolic acid (3) (IC50=8.22 mg/mL), respectively among the applications. In addition, anticholinesterase properties of the extracts and pure metabolites were investigated by testing the inhibitory properties against acetylcholine esterase (AChE) and butrylcholine esterase (BChE) enzymes activities. The results showed that the anticholinesterase properties of all extracts and pure metabolites were weaker than those of the commercial cholinesterase inhibitors, neostigmine and galantamine, and all applications reduced the activity of these enzymes at very high concentrations.

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