scholarly journals Synthesis, Characterization and in vitro Antimicrobial Evaluation of Chalconeimine Derivatives as Potential Inhibitors against Enzymes Produced from S. aureus: A Computational Approach

2019 ◽  
Vol 31 (10) ◽  
pp. 2157-2164
Author(s):  
B. Prithivirajan ◽  
M. Jebastin Sonia Jas ◽  
G. Marimuthu
Keyword(s):  
Antibacterial Agents ◽  
Dna Gyrase ◽  
Bacterial Strains ◽  
Bacterial Proteins ◽  
Antibiotic Drug ◽  
In Vitro Antibacterial Activity ◽  
Antimicrobial Evaluation ◽  
Potential Inhibitors ◽  
Gyrase Inhibitors

(Z)-1-(Benzo[d][1,3]dioxol-5-yl)-3-(4-(difluoromethoxy)-3-hydroxyphenyl)prop-2-en-1-one hydrazone derivatives pronounced in this manuscript represents a new collection of antibacterial agents in addition to the DNA gyrase inhibitors. Efforts had been made to synthesize those chalcone-hydrazone derivatives (4a-e) in good yields. The literature survey confirms that nano-ZnO as heterogeneous catalyst has obtained big interest because of its ecofriendly nature and has been explored as a effective catalyst for several organic ameliorations. Subsequently, induced by way of these observations and in continuation to our interest in organic synthesis with using nanocatalyst. in vitro Antibacterial activity has been evaluated towards Gram-positive and Gram-negative bacterial strains for all compounds. So one can discover the affinity to bacterial proteins docking have a look at have been carried out for 5 synthesized derivatives, antibiotic drug and co-crystallized ligands with special mechanism of action DNA gyrase B and methylthioadenosine/S-adenosylhomocysteine nucleosidase (MTAN) the usage of AutoDock 4.

scholarly journals Synthesis, Docking Studies, and In Vitro Evaluation of Some Novel Thienopyridines and Fused Thienopyridine–Quinolines as Antibacterial Agents and DNA Gyrase Inhibitors

Molecules ◽  
2019 ◽  
Vol 24 (20) ◽  
pp. 3650 ◽  
Author(s):  
Eman M. Mohi El-Deen ◽  
Eman A. Abd El-Meguid ◽  
Sherifa Hasabelnaby ◽  
Eman A. Karam ◽  
Eman S. Nossier
Keyword(s):  
Staphylococcus Aureus ◽  
Dna Gyrase ◽  
Docking Studies ◽  
Inhibition Activity ◽  
Bacterial Strains ◽  
Reference Drug ◽  
E Coli ◽  
Ic50 Values ◽  
Gyrase Inhibitors

A series of novel thienopyridines and pyridothienoquinolines (3a,b–14) was synthesized, starting with 2-thioxo-1,2-dihydropyridine-3-carbonitriles 1a and 1b. All compounds were evaluated for their in vitro antimicrobial activity against six bacterial strains. Compounds 3a,b, 4a, 5b, 6a,b, 7a, 9b, 12b, and 14 showed significant growth inhibition activity against both Gram-positive and Gram-negative bacteria compared with the reference drug. The most active compounds (4a, 7a, 9b, and 12b) against Staphylococcus aureus were also tested for their in vitro inhibitory action on methicillin-resistant Staphylococcus aureus (MRSA). The tested compounds showed promising inhibition activity, with the performance of 12b being equal to gentamicin and that of 7a exceeding it. Moreover, the most promising compounds were also screened for their Escherichia coli DNA gyrase inhibitory activity, compared with novobiocin as a reference DNA gyrase inhibitor. The results revealed that compounds (3a, 3b, 4a, 9b, and 12b) had the highest inhibitory capacity, with IC50 values of 2.26–5.87 µM (that of novobiocin is equal to 4.17 µM). Docking studies were performed to identify the mode of binding of the tested compounds to the active site of E. coli DNA gyrase B.

Synthesis and antibacterial activity of N1-(carbazol-3-yl)amidrazones incorporating piperazines and related congeners

2016 ◽  
Vol 71 (8) ◽  
pp. 857-867 ◽  
Author(s):  
Ahmad H. Abdullah ◽  
Jalal A. Zahra ◽  
Mustafa M. El-Abadelah ◽  
Salim S. Sabri ◽  
Monther A. Khanfar ◽  
...  
Keyword(s):  
Antibacterial Activity ◽  
Antibacterial Agents ◽  
Methicillin Resistant Staphylococcus Aureus ◽  
Inhibitory Concentration ◽  
Bacterial Strains ◽  
X Ray ◽  
In Vitro Antibacterial Activity ◽  
Further Development

AbstractA selected set of N1-(4-chloro-9-ethylcarbazol-3-yl)amidrazones (7a–n) has been synthesized by reacting the respective hydrazonoyl chloride 5 derived from 3-amino-9-ethylcarbazole (3), with an appropriate sec-cyclic amine (6a–n) in ethanol in the presence of triethylamine. Unexpectedly, aromatic ring chlorination occurred at C-4 of 3 during its conversion to 6 as evidenced by analytical and spectral data and further confirmed by single crystal X-ray structure determination of the amidrazone 7n. Compounds 7a–n were tested for their in vitro antibacterial activity. Among the tested bacterial strains, methicillin-resistant Staphylococcus aureus was the most susceptible to 7f and Bacillus cereus to 7b both with a minimum inhibitory concentration value of 1.56 µg mL−1. Compounds 7c, 7f, and 7h could be useful as lead structures for further development of new antibacterial agents against Gram-positive and Gram-negative pathogens.

The Research of New Inhibitors of Bacterial Methionine Aminopeptidase by Structure Based Virtual Screening Approach of ZINC DATABASE and In Vitro Validation

2020 ◽  
Vol 16 (4) ◽  
pp. 389-401 ◽  
Author(s):  
Hanane Boucherit ◽  
Abdelouahab Chikhi ◽  
Abderrahmane Bensegueni ◽  
Amina Merzoug ◽  
Jean-Michel Bolla
Keyword(s):  
Virtual Screening ◽  
Bacterial Survival ◽  
Methionine Aminopeptidase ◽  
Bacterial Strains ◽  
Microdilution Method ◽  
Zinc Database ◽  
Promising Target ◽  
New Antibiotics ◽  
Potential Inhibitors

Background: The great emergence of multi-resistant bacterial strains and the low renewal of antibiotics molecules are leading human and veterinary medicine to certain therapeutic impasses. Therefore, there is an urgent need to find new therapeutic alternatives including new molecules in the current treatments of infectious diseases. Methionine aminopeptidase (MetAP) is a promising target for developing new antibiotics because it is essential for bacterial survival. Objective: To screen for potential MetAP inhibitors by in silico virtual screening of the ZINC database and evaluate the best potential lead molecules by in vitro studies. Methods: We have considered 200,000 compounds from the ZINC database for virtual screening with FlexX software to identify potential inhibitors against bacterial MetAP. Nine chemical compounds of the top hits predicted were purchased and evaluated in vitro. The antimicrobial activity of each inhibitor of MetAP was tested by the disc-diffusion assay against one Gram-positive (Staphylococcus aureus) and two Gram-negative (Escherichia coli & Pseudomonas aeruginosa) bacteria. Among the studied compounds, compounds ZINC04785369 and ZINC03307916 showed promising antibacterial activity. To further characterize their efficacy, the minimum inhibitory concentration was determined for each compound by the microdilution method which showed significant results. Results: These results suggest compounds ZINC04785369 and ZINC03307916 as promising molecules for developing MetAP inhibitors. Conclusion: Furthermore, they could therefore serve as lead molecules for further chemical modifications to obtain clinically useful antibacterial agents.

scholarly journals Template synthesis and characterization of biologically active transition metal complexes comprising 14-membered tetraazamacrocyclic ligand

2010 ◽  
Vol 75 (2) ◽  
pp. 217-228 ◽  
Author(s):  
Dharmpal Singh ◽  
Krishan Kumar ◽  
Ramesh Kumar ◽  
Jitender Singh
Keyword(s):  
Magnetic Measurements ◽  
Macrocyclic Ligand ◽  
Salmonella Typhi ◽  
Molar Conductance ◽  
Biologically Active ◽  
Distorted Octahedral Geometry ◽  
Bacterial Strains ◽  
In Vitro Antibacterial Activity ◽  
Active Transition

A novel series of complexes of the type [M(C28H24N4)X2], where M = Co(II), Ni(II), Cu(II), Zn(II) and Cd(II), X = Cl-, NO3 -, CH3COO- and (C28H24N4) corresponds to the tetradentate macrocyclic ligand, were synthesized by template condensation of 1,8-diaminonaphthalene and diacetyl in the presence of divalent metal salts in methanolic medium. The complexes were characterized by elemental analyses, conductance and magnetic measurements, as well as by UV/Vis, NMR, IR and MS spectroscopy. The low values of the molar conductance indicate non-electrolyte type of complexes. Based on these spectral data, a distorted octahedral geometry may be proposed for all of these complexes. All the synthesized macrocyclic complexes were tested for in vitro antibacterial activity against some pathogenic bacterial strains, viz Bacillus cereus, Salmonella typhi, Escherichia coli and Staphylococcus aureus. The MIC values shown by the complexes against these bacterial strains were compared with the MIC shown by the standard antibiotics linezolid and cefaclor.

Synthesis, Antimicrobial Evaluation, and Docking Studies of Novel 4-Substituted Quinazoline Derivatives as DNA-Gyrase Inhibitors

2010 ◽  
Vol 343 (10) ◽  
pp. 570-576 ◽  
Author(s):  
Shireesha Boyapati ◽  
Umasankar Kulandaivelu ◽  
Srinivas Sangu ◽  
Malla Reddy Vanga
Keyword(s):  
Dna Gyrase ◽  
Docking Studies ◽  
Antimicrobial Evaluation ◽  
Quinazoline Derivatives ◽  
Gyrase Inhibitors

scholarly journals In VitroandIn VivoCharacterization of the Novel Oxabicyclooctane-Linked Bacterial Topoisomerase Inhibitor AM-8722, a Selective, Potent Inhibitor of Bacterial DNA Gyrase

2016 ◽  
Vol 60 (8) ◽  
pp. 4830-4839 ◽  
Author(s):  
Christopher M. Tan ◽  
Charles J. Gill ◽  
Jin Wu ◽  
Nathalie Toussaint ◽  
Jingjun Yin ◽  
...  
Keyword(s):  
Broad Spectrum ◽  
Antibacterial Agents ◽  
Cell Activity ◽  
Dna Gyrase ◽  
Topoisomerase Iv ◽  
Bacterial Dna ◽  
Whole Cell ◽  
Content Type

ABSTRACTOxabicyclooctane-linked novel bacterial topoisomerase inhibitors (NBTIs) represent a new class of recently described antibacterial agents with broad-spectrum activity. NBTIs dually inhibit the clinically validated bacterial targets DNA gyrase and topoisomerase IV and have been shown to bind distinctly from known classes of antibacterial agents directed against these targets. Herein we report the molecular, cellular, andin vivocharacterization of AM-8722 as a representative N-alkylated-1,5-naphthyridone left-hand-side-substituted NBTI. Consistent with its mode of action, macromolecular labeling studies revealed a specific effect of AM-8722 to dose dependently inhibit bacterial DNA synthesis. AM-8722 displayed greater intrinsic enzymatic potency than levofloxacin versus both DNA gyrase and topoisomerase IV fromStaphylococcus aureusandEscherichia coliand displayed selectivity against human topoisomerase II. AM-8722 was rapidly bactericidal and exhibited whole-cell activity versus a range of Gram-negative and Gram-positive organisms, with no whole-cell potency shift due to the presence of DNA or human serum. Frequency-of-resistance studies demonstrated an acceptable rate of resistance emergencein vitroat concentrations 16- to 32-fold the MIC. AM-8722 displayed acceptable pharmacokinetic properties and was shown to be efficacious in mouse models of bacterial septicemia. Overall, AM-8722 is a selective and potent NBTI that displays broad-spectrum antimicrobial activityin vitroandin vivo.

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