scholarly journals The synthesis, antimicrobial activity and docking studies of 6-(1H-benzimidazol-2-yl)-5-methylthieno[2,3-d]pyrimidin- 4(3H)-ones with acetamide and 1,2,4-oxadiazol-5-ylmethyl substituents

2021 ◽  
Vol 19 (3(75)) ◽  
pp. 15-20
Author(s):  
Sergiy V. Vlasov ◽  
Oleksandr V. Borysov ◽  
Hanna I. Severina ◽  
Sergiy M. Kovalenko ◽  
Tetiana P. Osolodchenko ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Ribosomal Rna ◽  
Active Site ◽  
Docking Studies ◽  
Binding Activity ◽  
Diffusion Method ◽  
The Novel ◽  
Reference Drug ◽  
Sabouraud Agar ◽  
Agar Well Diffusion Assay

Aim. To synthesize, study the antimicrobial activity and suggest antimicrobial activity mechanism for the novel derivatives of 6-(1H-benzimidazol-2-yl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one. Results and discussion. As the result of the targeted modification of 6-(1H-benzimidazol-2-yl)-5-methylthieno[2,3-d]-pyrimidin-4(3H)-one in position 3 with acetamide and 1,2,4-oxadiazol-5-ylmethyl substituents, the compounds, which demonstrated better antimicrobial activity in the agar well diffusion assay than the reference drug Streptomycin, were obtained. To elucidate the mechanism of action of the novel compounds, the docking studies were con-ducted to the active site of the 16S subunit of ribosomal RNA, the proven target for aminoglycoside antibiotics, as well as tRNA (Guanine37-N1)-methyltransferase (TrmD), which inhibitors were considered as a new potential class of antibiotics. Experimental part. By the interaction of 6-(1H-benzimidazol-2-yl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one with a series of N-arylchloroacetamides and 3-aryl-5-(chloromethyl)-1,2,4-oxadiazoles in DMF in the presence of K2CO3 the target compounds were obtained. The antimicrobial activity was assessed by the agar well diffusion method. The concentration of microbial cells was determined by the McFarland standard; the value was 107 cells in 1 mL of the media. The 18 – 24 hour culture of microorganisms was used for tests. For the bacteria cultivation, Müller-Hinton agar was used, Sabouraud agar was applied for C. albicans cultivation. The compounds were tested as the DMSO solution with the concentration of 100 µg/mL; the volume of the solution was 0.3 mL, the same volume was used for Streptomycin (the concentration 30 µg/mL). The docking studies were performed using Autodock Vina. Crystallographic data for the complexes of Streptomycin with the 16S subunit of ribosomal RNA (1NTB) and its active site, as well as for tRNA (Guanine37-N1)-methyltransferase (EC 2.1.1.228; TrmD) (5ZHN) and its active site were obtained from the Protein Data Bank.Conclusions. It has been determined that 2-[6-(1H-benzimidazol-2-yl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-[4-(ethoxy)phenyl]acetamide, which is the most active as an antimicrobial agent among the compounds tested, also shows the best binding activity towards the active site of tRNA (guanine37-N1)-methyltransferase.

scholarly journals Antimicrobial efficacy of Novel Ethanolic Extract of Morinda Citrifolia Against Enterococcus Feacalis by Agar Well Diffusion Method and Minimal Inhibitory Concentration- An Invitro Study.

2019 ◽  
Vol 22 (3) ◽  
pp. 365-370
Author(s):  
Sriram Gummuluri ◽  
Venkata Teja Kavalipurapu ◽  
Apoorva Vasundhara Kaligotla
Keyword(s):  
Antimicrobial Activity ◽  
Minimal Inhibitory Concentration ◽  
Root Canal ◽  
Inhibitory Concentration ◽  
Ethanolic Extract ◽  
Morinda Citrifolia ◽  
Antimicrobial Efficacy ◽  
Diffusion Method ◽  
The Novel ◽  
Agar Well Diffusion Assay

Introduction: the long term success of root canal treatment is ultimately related to the effective debridement and disinfection of the root canal system. Hence, the irrigants play an important role in achieving the good penetrability and bactericidal activity. The present study was mainly aimed at evaluating the invitro antimicrobial efficacy of Novel Ethanolic Extract of Morinda Citrifolia by agar well diffusion and minimal inhibitory concentration. Materials and Methods:the antimicrobial efficacy of the Novel Ethanolic Extract of Morinda Citrifolia was tested using agar well diffusion and minimal inhibitory concentration was assessed. The zone of inhibitions were determined at 10 mg/ml concentration of Ethanolic Extract of Morinda Citrifolia on agar well plate and Minimal Inhibitory Concentration (MIC) against tested microorganism. Results: results obtained in the present study by both qualitative and quantitative experiments revieled that the tested Ethanolic Extract of Morinda Citrifolia possesses potential antibacterial activity against Enterococcus Feacalis when compared with standard antibiotic tetracycline. the highest zone of inhibition of 15mm was showed at 1000micrograms by agar well diffusion assay. The optimal antimicrobial activity was seen at 250micrograms for Morinda Citrifolia against Enterococcus Feacalis.Conclusion: novel Ethanolic extract of Morinda Citrifolia has shown an optimal antimicrobial activity against E.Feaclais. But still, future studies are still needed.

scholarly journals Synthesis, in Silico Molecular Docking Studies and Antibacterial Activity of 4-(4-Hydrazinylbenzyl)-1,3-Oxazolidin-2-One against DNA Gyrase Enzyme

2015 ◽  
Vol 50 ◽  
pp. 43-49
Author(s):  
P. Jacquline Rosy ◽  
S. Kalyanasundaram ◽  
K. Santhanalakshmi ◽  
S. Muthukumar
Keyword(s):  
Staphylococcus Aureus ◽  
Antimicrobial Activity ◽  
Molecular Docking ◽  
Dna Gyrase ◽  
Docking Studies ◽  
Binding Activity ◽  
Diffusion Method ◽  
Antimicrobial Drugs ◽  
Disk Diffusion Method

The molecular docking and antimicrobial activity studies of synthesized 4-(4-hydrazinylbenzyl)-1,3-oxazolidin-2-one were performed, in order to provide insights into the mechanism of action of potential antimicrobial drugs for resistant microorganisms. antimicrobial activity of compounds was investigated in vitro under aseptic conditions, using the disk diffusion method, against various gram positive and gram negative pathogenic microorganisms such as Pseudomonas aeruginosa, Staphylococcus aureus, Escherichia coli, Bacillus substilis and Staphylococcus aureus. Molecular docking was performed to study the binding activity of synthesized hydrazide onto the active site of DNA Gyrase Protein in an effort to increase the understanding of the action and resistance of synthesized hydrazide in this bacterium.

Synthesis of novel pyrazole tagged pyridine derivatives; their antimicrobial activity

2021 ◽  
Vol 18 ◽  
Author(s):  
Srinu Bhoomandla ◽  
Rambabu Gundla ◽  
Phani Raja Kanuparthy
Keyword(s):  
Antimicrobial Activity ◽  
Molecular Docking ◽  
Hydrazine Hydrate ◽  
Binding Mode ◽  
Docking Studies ◽  
Diffusion Method ◽  
Significant Activity ◽  
Pyridine Derivatives ◽  
Bacterial Strains ◽  
Gram Negative

: Novel pyrazole tagged pyridine derivatives 5a-n synthesized starting from 3-cyano-4-trifluoromethyl-6- thiophenyl 2(1H) pyridone 1. Compound 1 on hydrolysis followed by decarboxylation resulted in 4-trifluoro-methyl-6- thiophenyl 2(1H)pyridone 2. Compound 2 treated with POCl3 to get 2- chloro-4-trifluoromethyl-6- thiophenyl pyridine 3 further reaction with hydrazine hydrate, which resulted in the formation of compound 4. Compound 4 on reaction with different substituted 1,3-diketones in ethanol reflux condition to afford pyrazole substituted pyridine derivatives 5a-n. All derivatives were tested against Gram-positive and Gram-negative bacterial strains and different Candida strains by well diffusion method, compounds 5k and 5l showed significant activity. The binding mode of 5k and 5l also studied by molecular docking studies.

Synthesis and Molecular Docking of New Thiophene Derivatives as Lactate Dehydrogenase-A Inhibitors

2019 ◽  
Vol 19 (10) ◽  
pp. 833-841 ◽  
Author(s):  
Abd El-Galil E. Amr ◽  
Mohamed F. El-Shehry ◽  
Alhussein A. Ibrahim ◽  
Hanaa M. Hosni ◽  
Mohamed A. Al-Omar ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Lactate Dehydrogenase ◽  
Glucose Metabolism ◽  
Cancer Cells ◽  
Active Site ◽  
Docking Studies ◽  
Reference Drug ◽  
Molecular Docking Studies ◽  
Thiophene Moiety ◽  
Thiophene Derivatives

Background & Objective: A series of novel derivatives possessing the thiophene moiety were synthesized using ethyl 5'-amino-2,3'-bithiophene-4'-carboxylate as the starting material. Methods: The new synthesized derivatives were screened as lactate dehydrogenase (LDH) inhibitors. LDH plays an important role in glucose metabolism in cancer cells and can affect tumor genesis and metastasis. Results: 3-Substituted p-tolylthieno[2,3-d]pyrimidin-4(3H)-ones 4 were the most potent inhibitors in this study compared to Galloflavin reference drug. Conclusion: Molecular docking studies on the Human Lactate Dehydrogenase active site were carried out on the synthesized compounds and the MolDock scores ranged between -127 to -171.

Biological evaluation and docking studies of some benzoxazole derivatives as inhibitors of acetylcholinesterase and butyrylcholinesterase

2016 ◽  
Vol 71 (11-12) ◽  
pp. 409-413 ◽  
Author(s):  
Ozlem Temiz-Arpaci ◽  
Mustafa Arisoy ◽  
Duygu Sac ◽  
Fatima Doganc ◽  
Meryem Tasci ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Protein Interactions ◽  
Broad Spectrum ◽  
Active Site ◽  
Inhibitory Activity ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Molar Concentration ◽  
Reference Drug ◽  
Similar Activity

Abstract A series of 2,5-disubstituted-benzoxazole derivatives (1–13) were evaluated as possible inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The results demonstrated that the compounds exhibited a broad spectrum of AChE and BChE inhibitory activity ranging between 6.80% and 90.21% except one compound which showed no activity against AChE at the specified molar concentration. Another derivative displayed a similar activity to that of reference drug (galanthamine) for inhibition of AChE and BChE. In addition, molecular docking of the compounds into active site of AChE was performed using recombinant human AChE (PDB ID: 4ey6) in order to understand ligand–protein interactions.

scholarly journals Antimicrobial activity of Ficus sycomorus L. (Moraceae) leaf and stem-bark extracts against multidrug resistant human pathogens

2015 ◽  
Vol 61 (1) ◽  
pp. 39-49 ◽  
Author(s):  
Basel Saleh ◽  
Razan Hammoud ◽  
Ayman Al-Mariri
Keyword(s):  
Antimicrobial Activity ◽  
Antibacterial Activity ◽  
Minimum Bactericidal Concentration ◽  
Stem Bark ◽  
Multidrug Resistant ◽  
Diffusion Method ◽  
Human Pathogens ◽  
Reference Drug ◽  
Resistant Species ◽  
Ficus Sycomorus

Summary The present work was conducted to investigate antibacterial activity of methanol and acetone in leaf (LE) and stem-bark (SBE) of Ficus sycomorus L. crude extracts against sensitive and resistant species of Staphylococcus aureus and Acinetobacter baumannii pathogens. Antimicrobial activity expressed by disc-diffusion method (zone of inhibitions - ZIs), minimum inhibitory concentrations (MICs) and minimum bactericidal concentration (MBC) were measured as reported for many investigations. Similar study with 6 commercial antibiotics as a reference drug was undertaken. Based upon the estimated ZIs, MIC and MBC values, acetone LE exhibited higher antimicrobial activity than that of methanol one. Otherwise, standard antibiotics have lower effectiveness (ZIs, MICs and MBC) on all tested bacteria as compared to the SBE and LE. The highest antibacterial activity was recorded in sensitive A. baumannii isolate with MICs 2.5, 4.9 mg/ml and MBC 3.8, 9.7 mg/ml for acetone LE and SBE, respectively. Our data indicated that the lowest antibiotics antibacterial activity was recorded for resistant A. baumannii pathogen. It was lower than those of the both plant fractions extracts.

scholarly journals Synthesis, Spectral Analysis, In Vitro Microbiological Evaluation, and Molecular Docking Studies of Some Novel 1-(1-Aryl-1H-tetrazol-5-yl)-2-(piperidin-1-yl)ethanone Derivatives

2014 ◽  
Vol 2014 ◽  
pp. 1-9 ◽  
Author(s):  
Thangasamy Elavarasan ◽  
Durairaj Peter Bhakiaraj ◽  
Mannathusamy Gopalakrishnan
Keyword(s):  
Antimicrobial Activity ◽  
Docking Studies ◽  
Dilution Method ◽  
Reference Drug ◽  
Mass Spectral ◽  
Drug Candidates ◽  
H Nmr ◽  
Serial Dilution Method ◽  
C Nmr

A new series of novel heterocyclic compounds containing both tetrazoles and piperidine nuclei together, namely, 1-(1-aryl-1H-tetrazol-5-yl)-2-(piperidin-1-yl)ethanone (22–28), were synthesized by the treatment of the respective 2-chloro-1-(1-aryl-1H-tetrazol-5-yl)ethanone (15–21) with piperidine in acetonitrile for 6 h. A series of novel tetrazole substituted piperidine derivatives were synthesized and evaluated for their antimicrobial activity using serial dilution method. The structures of the synthesized compounds were characterized by IR, 1H NMR, 13C NMR, mass spectral data, and elemental analysis. Evaluation of antimicrobial activity shows that several compounds exhibit good activity when compared with the reference drug candidates and thus could be promising new lead molecules.

Characteristics of the etiological structure and susceptibility to antibiotics, antiseptics of infectious pathogens of respiratory organs in children in critical states

2018 ◽  
Vol 22 (2) ◽  
pp. 311-317
Author(s):  
O.A. Nazarchuk ◽  
A.I. Starodub ◽  
O.V. Rymsha ◽  
V.A. Starodub ◽  
S.A. Kolodii
Keyword(s):  
Antimicrobial Activity ◽  
Antibacterial Agents ◽  
Inflammatory Diseases ◽  
Diffusion Method ◽  
Chlorhexidine Digluconate ◽  
Gram Positive ◽  
Critical States ◽  
Results Of Treatment ◽  
Moderate Resistance ◽  
Staphylococcus Spp

The study of the etiological structure, the properties of pathogens of the respiratory infectious diseases in children and their resistance to antibacterial agents is particularly relevant in modern conditions, expands the search for new approaches to combating pathogens, improves the results of treatment and reduces the mortality of this pathology. The aim — study of etiological structure, sensitivity to antibiotics and antiseptics of pathogens of infectious and inflammatory diseases of respiratory organs in children. In the study there were enrolled 247 patients who were treated in Vinnytsia Regional Children’s Clinical Hospital (VRCCH) in 2016. The sensitivity of microorganisms to 23 antibacterial agents was determined by the disc-diffusion method according to the generally accepted method. The analysis of the antimicrobial activity of antiseptic drugs (decamethoxine, miramistin, chlorhexidine digluconate) was performed by a double serial dilution technique with the determination of the minimum inhibitory bacteriostatic (MIC) and bactericidal (MBcC) concentrations, by the method of successive serial dilutions of the drug in a liquid nutrient medium. In patients who were in inpatient treatment at the VRCCH in 2016 because of pneumonia there were found opportunistic microorganisms which were of etiological significance in the development of the infection. Among them there were Streptococci (47,3 %), Staphylococci (15,3 %), Candida (13,3 %), Enterococci (10,9 %), including a high proportion of owned non-fermenting gram negative bacilli (9,8%) and species of Enterobacteria (2,0 %). Isolated strains of microorganisms had moderate resistance to most modern antibiotic drugs. The sensitivity of isolated strains of microorganisms to reserved antibiotics as carbapenems, often being used in the treatment of critical states of patients in the intensive care units, was found to above 18,2%. The sensitivity to this antibiotic in Enterococcus spp. (7,1 %), Staphylococcus spp. (5,9 %) was also low. Carbapenems, fluoroquinolones (the 1st and 2nd generations), antibiotics and aminoglycosides were found to be effective against gram positive microorganisms in more then 45% of cases. According to this they were considered to be as drugs of choice in the treatment of infectious and purulent-inflammatory pathology of respiratory organs, caused metitcilin- and vancomycin-resistant strains of microorganisms. Resistance to these drugs among investigated strains did not exceed 9,0 %. The high bactericidal properties of antiseptics as decamethoxine was determined against S.pyogenes, Staphylococcus spp. Its MBcC against these bacteria (1,65±0,20 mkg/ml and 4,32±0,50 mkg/ml, respectively) proved the advantage of decamethoxine’s effectiveness in comparison with chlorhexidine digluconate 3,14 times, 2,44 times miramistin. Clinical strains of C.albicans showed the highest susceptibility to decamethoxine, which fungicidal activity was determined in the presence (16,17±2,33 mkg/ml), in comparison with chlorxedine (MFtsK 27,59±3,59 mg/ml) and miramistin activity (27,59±3,595 mkg/ml). In children with inflammatory diseases of the respiratory organs gram-positive cocci are among the predominant pathogens (73,5 %) of cases, in the association allocated – 8,0 % of pathogens. Allocated strains of microorganisms were moderately resistant to all antibiotics studied. For antimicrobial activity antiseptic drugs, especially decamethoxine, have advantages over antibiotics confirming the possibility of their use in combination with systemic antibacterials.

The In vitro Evaluation of the Antimicrobial Activity of Quercus robur L. Methanolic and Aqueous Leaves’ Extracts, from the Algerian High Plateaus Against some Uropathogenic Microbial Strains

2019 ◽  
Vol 18 (5) ◽  
pp. 262-274
Author(s):  
E. Benyagoub ◽  
N. Nabbou ◽  
S. Boukhalkhel ◽  
I. Dehini
Keyword(s):  
Escherichia Coli ◽  
Staphylococcus Aureus ◽  
Antimicrobial Activity ◽  
Candida Albicans ◽  
Enterococcus Faecalis ◽  
Fusidic Acid ◽  
Quercus Robur ◽  
Diffusion Method ◽  
Phytochemical Analysis ◽  
Microbial Strains

The medicinal value of the plants is due to their chemical components that bring a definite physiological action on the human body to prevent the diseases. In this work, we investigated the antimicrobial activity of leaves’ extracts of Quercus robur L., collected from the Algerian upper highlands, on ten bacterial strains and one fungal strain known to be pathogenic. First, we performed a qualitative phytochemical analysis, and second, antimicrobial activity tests performed by agar diffusion method (disc and well) with the determination of MIC by broth macro-dilution method. Given the results, it appears that obtained macerates of Quercus robur L. were rich in bioactive phytoconstituents such as alkaloids, anthraquinones, saponins, tannins, and other components. The yield of aqueous and methanolic macerates of leaves was 8.5 ± 1.41 and 22.4 ± 4.36%, respectively. The bacterial resistance was relatively important to several antibiotics, namely, ampicillin, amoxicillin + clavulanic acid for strains of Escherichia coli and Salmonella sp. However, Staphylococcus aureus strains were resistant to fusidic acid, penicillin, and oxacillin; while Enterococcus faecalis was resistant to fusidic acid, penicillin, oxacillin, and ticarcillin. The antibacterial activity of the macerates toward tested microbial strains showed that the aqueous and methanolic macerates of the leaves were proportional to the tested concentration and active not only against Gram-positive and Gram-negative bacteria but also on the fungal species Candida albicans. The estimated MIC for Escherichia coli, Enterococcus faecalis, and Staphylococcus aureus was in the order of 10 mg/mL, which seems more effective than toward Salmonella sp., Klebsiella pneumoniae, Pseudomonas aeruginosa, and Candida albicans which were in the order of 30 mg/mL. These preliminary results confirm that the part of the studied plant had a very good antimicrobial activity that was proportional to the serial concentrations of the tested extracts.

Design, Synthesis and Docking Studies of Some Novel Fluoroquinolone Compounds with Antibacterial Activity

2018 ◽  
Vol 69 (4) ◽  
pp. 815-822 ◽  
Author(s):  
Lucia Pintilie ◽  
Amalia Stefaniu ◽  
Alina Ioana Nicu ◽  
Maria Maganu ◽  
Miron Teodor Caproiu
Keyword(s):  
Antimicrobial Activity ◽  
Antibacterial Activity ◽  
Molecular Docking ◽  
Drug Discovery ◽  
Elemental Analysis ◽  
Docking Studies ◽  
Receptor Protein ◽  
Chemical Methods ◽  
Design Synthesis ◽  
Gram Negative

A new series of fluoroquinolone compounds have been obtained by Gould-Jacobs method. The compounds have been characterized by physic-chemical methods (elemental analysis, FTIR, NMR, UV-Vis) and by antimicrobial activity against Gram-positive and Gram-negative microorganisms. For the synthesized compounds have been performed calculations of characteristics and molecular properties, using Spartan�14 Software from Wavefunction, Inc. Irvine, CA. and molecular docking studies using CLC Drug Discovery Workbench 2.4 software, to identify and visualize the most likely interaction ligand (fluoroquinolone) with the receptor protein.

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