scholarly journals Synthesis, Characterization and Molecular Docking of 1,2,4-Triazole Derivatives as Potential Antimicrobial Agents

2020 ◽  
Vol 32 (6) ◽  
pp. 1437-1442
Author(s):  
Panneerselvam Kalaivani ◽  
Jayaraman Arikrishnan ◽  
Mannuthusamy Gopalakrishnan
Keyword(s):  
Antimicrobial Agents ◽  
Docking Study ◽  
Binding Mode ◽  
Zone Of Inhibition ◽  
Mass Spectral ◽  
Antibacterial And Antifungal Activities ◽  
Inhibition Concentration ◽  
Ft Ir ◽  
Antibacterial And Antifungal

In this study, a new series of (E)-N-(4-(3-(3,5-dialkylphenyl)acryloyl)phenyl)-2-(1H-1,2,4-triazol-1- yl)acetamide (32-41) was synthesized, characterized by FT-IR, 1H NMR, 13C NMR and Mass spectral analysis and evaluated for their in vitro antibacterial and antifungal activities. The docking study of the newly synthesized compounds was performed and results showed good binding mode in the active site of 1T9U protein. The zone of inhibition concentration was tested for the synthesized compounds against five bacterial and three fungal strains. Compounds 34 and 37 have good antibacterial activity. Compounds 3, 4 and 6 shows moderate inhibition against the antifungal activity.

scholarly journals Synthesis, structural characterization and antimicrobial evaluation of some novel piperidin-4-one oxime esters

2015 ◽  
Vol 80 (9) ◽  
pp. 1101-1111 ◽  
Author(s):  
Gokula Krishnan ◽  
R. Sivakumar ◽  
V. Thanikachalam
Keyword(s):  
Biologically Active ◽  
Good Activity ◽  
Mass Spectral ◽  
Antibacterial And Antifungal Activities ◽  
Xrd Study ◽  
Antimicrobial Evaluation ◽  
Ft Ir ◽  
Antibacterial And Antifungal

Fifteen novel biologically active piperidin-4-one oxime esters (8-22) have been synthesized with good yields. These compounds were prepared from in-situ activated carboxylic acids using POCl3 and pyridine with piperidin-4- one oximes. The structure of the title compounds were elucidated on the basis of FT-IR, NMR (1D and 2D) and mass spectral analyses. The single crystal XRD study of compounds 12 and 20 were the further evidence for the proposed structure unambiguously. All the synthesized compounds were tested for in vitro antibacterial and antifungal activities. Many of these derivatives exhibited good activity against Bacillus subtilis, Pseudomonas aeruginosa, Escherichia coli, Trigoderma veride and Aspergillus flavus.

Synthesis, SAR, In-Silico appraisal and Anti-Microbial Study of substituted 2-aminobenzothiazoles derivatives

2019 ◽  
Vol 15 ◽  
Author(s):  
Devidas G. Anuse ◽  
Suraj N. Mali ◽  
Bapu R. Thorat ◽  
Ramesh S. Yamgar ◽  
Hemchandra K. Chaudhari
Keyword(s):  
Antimicrobial Activity ◽  
In Silico ◽  
Docking Study ◽  
Moderate Activity ◽  
Molecular Docking Study ◽  
Mass Spectral ◽  
Gram Positive Bacteria ◽  
Ft Ir ◽  
In Silico Molecular Docking

Background: Antimicrobial resistance is major global health problem, which is being rapidly deteriorating the quality of human health. Series of substituted N-(benzo[d]thiazol-2-yl)-2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)acetamide (3a-j) were synthesized from substituted N-(benzo[d]thiazol-2-yl)-2-chloroacetamide/bromopropanamide (2a-j) and 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole (2) and further evaluated for their docking properties and antimicrobial activity. Methods: All synthesized compounds were characterized by FT-IR, NMR and Mass spectral analysis. All compounds were allowed to dock against different antimicrobial targets having PDB ID: 1D7U and against common antifungal target having PDB ID: 1EA1. Results: The compounds 3d and 3h were showed good activity against Methicillin-resistant Staphylococcus aureus (MRSA, resistance Gram-positive bacteria). All synthesized compounds showed good to moderate activity against selected bacterial and fungal microbial strains. If we compared the actual in-vitro antimicrobial activity and in-silico molecular docking study, we found that molecules 3i and 3h were more potent than the others. Conclusion: Our current study would definitely pave the new way towards designing and synthesis of more potent 2-aminobenzothiazoles derivatives.

scholarly journals SYNTHESIS, CHARACTERIZATION AND IN VITRO STUDY OF ANTIBACTERIAL, ANTIFUNGAL ACTIVITIES OF SOME NOVEL DIHYDROPYRIMIDINTHIONE DERIVATIVES

2014 ◽  
Vol 44 (4) ◽  
pp. 289-293
Author(s):  
S. BALUJA ◽  
S. CHANDA ◽  
R. BHALODIA ◽  
R. TALAVIYA
Keyword(s):  
Biological Activities ◽  
Wide Spectrum ◽  
In Vitro Study ◽  
Dimethyl Formamide ◽  
Mass Spectral Data ◽  
Antifungal Activities ◽  
Mass Spectral ◽  
Antibacterial And Antifungal Activities ◽  
Antibacterial And Antifungal

Dihydropyrimidinthione is an important class of heterocyclic compounds which exhibits wide spectrum of biological activities. In the present study, some bio-active dihydropyrimidinthione derivatives have been synthesized and their characterization was done by IR, NMR and mass spectral data. The antibacterial and antifungal activities of synthesized compounds have also been studied in N,N-dimethyl formamide and Dimethyl sulfoxide.

scholarly journals Synthesis, Antibacterial and Antifungal Evlaution of Novel Pyrazoline Derivatives

2018 ◽  
Vol 17 (2) ◽  
pp. 221-226
Author(s):  
BC Revanasiddappa ◽  
MS Jisha ◽  
M Vijay Kumar ◽  
Hemanth Kumar
Keyword(s):  
Good Activity ◽  
Bacterial Strains ◽  
Mass Spectral Data ◽  
Acetic Acid Medium ◽  
Mass Spectral ◽  
Antibacterial And Antifungal Activities ◽  
Alcohol Medium ◽  
Antibacterial And Antifungal ◽  
New Compounds

A new series of chalcones (2a-j) were prepared by reacting substituted aldehydes and substituted ketones in alcohol medium in presence of NaOH. The chalcones underwent selective cyclization with guanicol hydrazide (1) in glacial acetic acid medium to yield the title compounds 1,3,5-trisubstituted pyrazolines (3a-j). The new compounds were characterized on the basis of 1H-NMR, IR and mass spectral data. All the newly synthesized compounds were evaluated for their in-vitro antibacterial and antifungal activities. Some of the tested compounds 3a and 3e showed good activity against bacterial strains and compounds 3d and 3h revealed good activity against fungal strains. Dhaka Univ. J. Pharm. Sci. 17(2): 221-226, 2018 (December)

scholarly journals Biological evaluation of some octanoyl derivatives of methyl 4,6-O-cyclohexylidene-α-D-glucopyranoside

2013 ◽  
pp. 53-64 ◽  
Author(s):  
Abul KMS Kabir ◽  
Sarkar MA Kawsar ◽  
Mohammad MR Bhuiyan ◽  
Md Safiqur Rahman ◽  
Bilkiss Banu
Keyword(s):  
Pathogenic Bacteria ◽  
Biological Evaluation ◽  
Phytopathogenic Fungi ◽  
Bacterial Strains ◽  
Antibacterial And Antifungal Activities ◽  
Inhibition Concentration ◽  
Fungal Phytopathogens ◽  
Antibacterial And Antifungal ◽  
Derivatives Of

Some acylated derivatives of methyl 4,6-O-cyclohexylidene-?-D-glucopyranoside, including the precursor, were employed as test compounds for in vitro antimicrobial functionality test against ten human pathogenic bacteria and six phytopathogenic fungi. For comparative studies, biological activity of standard antibiotics, Ampicillin and Nystatin were also carried out against these microorganisms. The study revealed that the tested samples exhibited moderate to good antibacterial and antifungal activities. It was also observed that the test substances were more effective against fungal phytopathogens than those of the bacterial strains. Encouragingly, a good number of test compounds exhibited better antimicrobial activity than the standard antibiotics employed. Minimum Inhibition Concentration (MIC) test of methyl 4,6-O-cyclohexylidene-3-Odecanoyl- 2-O-octanoyl-?-D-glucopyranoside was conducted against INABA ET (Vibrio) and MIC was found to be 12.5 ?g/disc. DOI: http://dx.doi.org/10.3329/cujbs.v3i1.13406 The Chittagong Univ. J. B. Sci.,Vol. 3(1&2):53-64, 2008

scholarly journals DESIGN, SYNTHESIS OF BIOLOGICALLY ACTIVE HETEROCYCLES CONTAINING INDOL- THIAZOLYL- THIAZOLIDINONE DERIVATIVES

2018 ◽  
Vol 11 (3) ◽  
pp. 113 ◽  
Author(s):  
Prabhakar Walmik ◽  
Basavaraj S Naraboli ◽  
Swathi B ◽  
Somashekhar Ghanti
Keyword(s):  
Analytical Data ◽  
Biologically Active ◽  
Design Synthesis ◽  
Mass Spectral ◽  
Antibacterial And Antifungal Activities ◽  
Microdilution Method ◽  
13C Nuclear Magnetic Resonance ◽  
Broth Microdilution Method ◽  
Antibacterial And Antifungal

 Objective: The present study envisage a novel series of thiazole, indole and thiazolidine derivatives, namely, N-((5-Substituted-2-phenyl-1 H-indol-3-yl)methylene)-4,5,6,7-tetrahydro-5,7,-dimethylbenzo [d]thiazole-2-amine (4a-c), 2-(5-substituted-2-phenyl-1H-indol-3-yl)-3-(4,5,6,7- trimethylbenzo[d]thiazol-2-yl)-thiazolidin-4-one (5a-c) and 5-benzylidine-2-(5-substituted-2phenyl-1H-indol-3yl)-3-(4,5,6,7-tetrahydro-5,5,7- trimethylbenzo[d]thiazol-2-yl) thiazolidin-4-one (6a-c).Methods: All the newly synthesized compounds were characterized by infrared, 1H, 13C nuclear magnetic resonance and mass spectral data and elemental analysis and evaluated for in vitro antimicrobial activity.Results: Novel compounds N-((5-Substituted-2-phenyl-1H-indol-3-yl)methylene)-4,5,6,7-tetrahydro-5,7,-dimethylbenzo [d]thiazole-2-amine (4a-c), 2-(5-substituted-2-phenyl-1H-indol-3-yl)-3-(4,5,6,7-trimethylbenzo[d]thiazol-2-yl)-thiazolidin-4-one (5a-c) and 5-benzylidine-2-(5-substituted- 2phenyl-1H-indol-3yl)-3-(4,5,6,7-tetrahydro-5,5,7-trimethyl benzo[d]thiazol-2-yl)thiazolidin-4-one (6a-c) have been made and characterized using spectral and analytical data. The results of antibacterial and antifungal activities showed that some of the synthesized compounds exhibited promising activities.Conclusion: All the newly synthesized compounds were carried out by the broth microdilution method (NCCLS. 2002) in a DMF concentration of 500, 250, 125, and 62.5 μg/ml. Gentamycin and fluconazole are used as reference standards for antibacterial and antifungal activity, respectively. The final results revealed that compounds 4b, 5b, and 6b exhibited potent antimicrobial activity when compared to the standard drugs. 

scholarly journals Synthesis and Antimicrobial Activity of Pyrimidine Salts with Chloranilic and Picric Acids

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
C. Mallikarjunaswamy ◽  
D. G. Bhadregowda ◽  
L. Mallesha
Keyword(s):  
Antimicrobial Activity ◽  
The Other ◽  
Spectral Studies ◽  
H Nmr ◽  
Antibacterial And Antifungal Activities ◽  
Elemental Analyses ◽  
Ft Ir ◽  
Uv Visible ◽  
Antibacterial And Antifungal

Pyrimidine salts such as 2-methyl-5-nitro-phenyl-(4-pyridin-3-yl-pyrimidin-2-yl)-amine (1) and 4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-yl-amino)-phenyl-amine (2) with chloranilic and picric acids were synthesized, and theirin vitroantibacterial and antifungal activities were evaluated. The synthesized compounds were characterized by elemental analyses, UV-visible, FT-IR, and1H NMR spectral studies. Compound2aexhibited good inhibition towards antimicrobial activity compared to the other compounds.

scholarly journals 2-{[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinylidene}-4-oxo-1,3-thiazolidin-5-yl Acetic Acid

Molbank ◽  
10.3390/m1009 ◽  
2018 ◽  
Vol 2018 (3) ◽  
pp. M1009 ◽  
Author(s):  
Sangeetha Karanth ◽  
Badiadka Narayana ◽  
Sharath Kodandoor ◽  
Balladka Sarojini
Keyword(s):  
Acetic Acid ◽  
Title Compound ◽  
Radical Scavenging ◽  
Antioxidant Property ◽  
Mass Spectral ◽  
Bacterial Enzyme ◽  
Ft Ir ◽  
Antibacterial And Antifungal

Thia-Michael addition of 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazine-1-carbothioamide (1) with maleic anhydride results in the formation of the title compound 2-{[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinylidene}-4-oxo-1,3-thiazolidin-5-yl acetic acid 2. The precursor 1 is synthesized by the reaction of 4-hydroxy-3,5-dimethoxybenzaldehyde and thiosemicarbazide in the presence of glacial acetic acid as the catalyst. The structure of the title compound is determined by elemental analysis, FT-IR, 1H-NMR, 13C-NMR and mass spectral data. In order to determine the molecular interactions with the bacterial enzyme, the title compound is further docked into the active site of the MurB protein of Staphylococcus aureus (PDB ID: 1HSK). The in vitro antibacterial and antifungal activity of the title compound is carried out in order to appraise its antimicrobial efficacy by determination of zone of inhibition and minimal inhibitory concentration. The compound is also evaluated for its antioxidant property by 2,2-diphenyl-1-picryl-hydrazyl (DPPH) radical scavenging assay.

scholarly journals Microwave Assisted Improved Method for the Synthesis of Pyrazole Containing 2,4,-Disubstituted Oxazole-5-one and their Antimicrobial Activity

2008 ◽  
Vol 5 (1) ◽  
pp. 120-129 ◽  
Author(s):  
N. D. Argade ◽  
B. K. Kalrale ◽  
C. H. Gill
Keyword(s):  
Conventional Method ◽  
Antimicrobial Agents ◽  
Biological Activities ◽  
Microwave Assisted Synthesis ◽  
Antifungal Activities ◽  
Microwave Assisted ◽  
Antibacterial And Antifungal Activities ◽  
Microwave Assistance ◽  
Antibacterial And Antifungal

Disubstituted oxazol-5-one and pyrazoles are known to exhibit various biological activities. Therefore, in this work, we designed pyrazole containing 2,4-disubstituted oxazol-5-one(3a-g)as a new class of antimicrobial agents. Synthesis of titled compounds was carried out by two different methods. In the first method (conventional Method A), disubstituted oxazol-5-one(3a-g)was prepared by reacting 1-phenyl-3-p-tolyl-1H-pyrazole-4-carbaldehyde(1a-g)with hippuric acid(2)and sodium acetate, in an acetic anhydride for 2.5 - 4 h. In the second method (Method B), the above reaction was carried out under microwave assistance. Compared to the conventional method, the microwave-assisted synthesis of 3,4,5-trisubstituted imidazoles demonstrate several advantages, in terms of reaction time and overall yield. All the test compounds were evaluated forin vitroantibacterial and antifungal activities. In general, compounds with electron withdrawing groups showed good antibacterial and antifungal activities. Among the compound tested, compound(3d)showed highest activity.

A Novel and Facile Synthesis of Thiopyrimidines and O-Glucosides

2019 ◽  
Vol 4 (2) ◽  
pp. 65-69
Author(s):  
Rajendra Krushnaji Wanare
Keyword(s):  
Low Cost ◽  
Reaction Times ◽  
Alcoholic Solution ◽  
Mass Spectral Data ◽  
Reaction Conditions ◽  
Mass Spectral ◽  
Antibacterial And Antifungal Activities ◽  
Ft Ir ◽  
Antibacterial And Antifungal ◽  
Subsequent Deacetylation

Reaction of 3-methyl-5-(3'-aryl prop-2'-enoyl)-1,2-benzisoxazole (1a-j) with thiourea and alcoholic solution of KOH afforded 3-methyl-5-(4'-aryl-2'-thiopyrimidin-6'-yl)-1,2-benzisoxazoles (2a-j). Oxidation of products 2a-j using alkaline KMnO4 solution produces 5-(4'-aryl-2'-thiopyrimidin-6'-yl)-1,2-benzisoxazole-3-carboxylic acids (3a-j). Condensation of products 3a-j with 2,3,4,6-tetra-Oacetyl-α-D-glucopyranosyl bromide (TAGBr), the glucosylating agent synthesized 3-(2,3,4,6-tetra-O-acetyl-3-acetyl-β-D-glucopyranosyl)-5-(4'-aryl-2'-thiopyrimidin-6'-yl)-1,2-benzisoxazoles (4a-j). Subsequent deacetylation of compounds 4a-j were carried out with CH3ONa furnishes β-Dglucopyranosyl-5-(4'-aryl-2'-thiopyrimidin-6'-yl)-1,2-benzisoxazole-3-carboxylates (5a-j). All the synthesized compounds were analyzed by elemental analysis (C, H and N), FT-IR, 1H NMR and mass spectral data. Most of the prepared compounds were analyzed their antibacterial and antifungal activities by cup-plate method. The present approach offers several advantages such as shorter reaction times, cleaner reactions, good yields, low-cost reagent and mild reaction conditions.

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