Design, synthesis and docking studies of some novel isocoumarin analogues as antimicrobial agents

RSC Advances ◽  
2014 ◽  
Vol 4 (96) ◽  
pp. 53842-53853 ◽  
Author(s):  
Zaman Ashraf ◽  
Aamer Saeed ◽  
Humaira Nadeem
Keyword(s):  
Antimicrobial Agents ◽  
Docking Studies ◽  
Design Synthesis ◽  
Potential Inhibitors

The isocoumarins have been designed and prepared by incorporating the NSAIDs to discover potential inhibitors of UDP-N-acetylmuramyl-l-alanine ligase (MurC).

Synthesis and antimicrobial activity of aryldiazenyl/arylhydrazono pyrazoles

2021 ◽  
Vol 45 (11-12) ◽  
pp. 1093-1099
Author(s):  
Abdulrhman Alsayari ◽  
Yahya I Asiri ◽  
Abdullatif Bin Muhsinah ◽  
Mohd. Zaheen Hassan
Keyword(s):  
Active Site ◽  
Phenyl Ring ◽  
Antimicrobial Agents ◽  
Inhibitory Concentration ◽  
Docking Studies ◽  
Considerable Effect ◽  
Design Synthesis ◽  
Structure Activity ◽  
Antimicrobial Evaluation

We report the design, synthesis, and in vitro antimicrobial evaluation of functionalized pyrazoles containing a hydrazono/diazenyl moiety. Among these newly synthesized derivatives, 4-[2-(4-chlorophenyl)hydrazono]-5-methyl-2-[2-(naphthalen-2-yloxy)acetyl]-2,4-dihydro-3 H-pyrazol-3-one is a promising antimicrobial agent against Staphylococcus aureus (minimum inhibitory concentration 0.19 μg mL−1). Structure–activity relationship studies reveal that the electronic environment on the distal phenyl ring has a considerable effect on the antimicrobial potential of the hybrid analogues. Molecular docking studies into the active site of S. aureus dihydrofolate reductase also prove the usefulness of hybridizing a pyrazole moiety with azo and hydrazo groups in the design of new antimicrobial agents.

Design, synthesis, and docking studies of novel ofloxacin analogues as antimicrobial agents

2011 ◽  
Vol 21 (7) ◽  
pp. 1403-1410 ◽  
Author(s):  
S. Jubie ◽  
P. Prabitha ◽  
R. Rajesh Kumar ◽  
R. Kalirajan ◽  
R. Gayathri ◽  
...  
Keyword(s):  
Antimicrobial Agents ◽  
Docking Studies ◽  
Design Synthesis

scholarly journals Design, synthesis, DFT, docking studies and ADME prediction of some new coumarinyl linked pyrazolylthiazoles: Potential standalone or adjuvant antimicrobial agents

PLoS ONE ◽  
2018 ◽  
Vol 13 (4) ◽  
pp. e0196016 ◽  
Author(s):  
Sunil Kumar ◽  
Vikram Saini ◽  
Indresh K. Maurya ◽  
Jayant Sindhu ◽  
Mukesh Kumari ◽  
...  
Keyword(s):  
Antimicrobial Agents ◽  
Docking Studies ◽  
Design Synthesis ◽  
Adme Prediction

Design, Synthesis, Molecular Docking Studies of Deferasirox Derivatives of 1,2,4‐Triazole as Potential Antimicrobial Agents

2021 ◽  
Vol 6 (45) ◽  
pp. 12914-12920
Author(s):  
Yiping Hu ◽  
Shulin Jiao ◽  
Yanyan Wang ◽  
Ruicheng Chen ◽  
Gen Li ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antimicrobial Agents ◽  
Docking Studies ◽  
Design Synthesis ◽  
Molecular Docking Studies ◽  
Derivatives Of

New Benzothiazole-based Thiazolidinones as Potent Antimicrobial Agents. Design, synthesis and Biological Evaluation

2018 ◽  
Vol 18 (1) ◽  
pp. 75-87 ◽  
Author(s):  
Michelyne Haroun ◽  
Christophe Tratrat ◽  
Katerina Kositzi ◽  
Evangelia Tsolaki ◽  
Anthi Petrou ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Antimicrobial Agents ◽  
Biological Activities ◽  
Wide Spectrum ◽  
Antimicrobial Properties ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Synthesis Methods ◽  
Design Synthesis ◽  
Benzothiazole Derivatives

Background: Thiazole and benzothiazole derivatives, as well as thiazolidinones are very important scaffolds in medicinal chemistry. Literature has revealed that they possess a wide spectrum of biological activities including antimicrobial activity. Objective: The goal of this paper is the designing of new benzothiazole based thiazolidinones and the evaluation of their biological activities. Methods: The designed compounds were synthesized using classical organic synthesis methods. The antimicrobial activity was evaluated using the method of microdilution. Results: The twelve newly synthesized compounds showed antimicrobial properties. All compounds appeared to be more active than ampicillin in most studied strains and in some cases, more active than streptomycin. Antifungal activity, in most cases was also better than the reference drugs ketoconazole and bifonazole. The prediction of cytotoxicity revealed that the synthesized compounds were not toxic (LD50 350-1000 mg/kg of body weight). Docking studies on the antibacterial activity confirmed the biological results. Conclusion: The twelve new compounds were synthesized and studied for their antimicrobial activity. The compounds appeared to be promising antimicrobial agents and could be the lead compounds for new, more potent drugs. According to the docking prediction, the compounds could be MurB inhibitors.

scholarly journals Novel Penicillin Analogues as Potential Antimicrobial Agents; Design, Synthesis and Docking Studies

PLoS ONE ◽  
2015 ◽  
Vol 10 (8) ◽  
pp. e0135293 ◽  
Author(s):  
Zaman Ashraf ◽  
Abdul Bais ◽  
Md. Maniruzzaman Manir ◽  
Umar Niazi
Keyword(s):  
Antimicrobial Agents ◽  
Docking Studies ◽  
Design Synthesis

scholarly journals Design, Synthesis and Biological Evaluation of New Piperazin-4-yl-(acetyl-thiazolidine-2,4-dione) Norfloxacin Analogues as Antimicrobial Agents

Molecules ◽  
2019 ◽  
Vol 24 (21) ◽  
pp. 3959 ◽  
Author(s):  
Marc ◽  
Araniciu ◽  
Oniga ◽  
Vlase ◽  
Pîrnău ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Antimicrobial Agents ◽  
Binding Mode ◽  
Biological Properties ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Bacterial Strains ◽  
Design Synthesis ◽  
Parent Molecule ◽  
Synthesis And Biological Evaluation

 In an effort to improve the antimicrobial activity of norfloxacin, a series of hybrid norfloxacin–thiazolidinedione molecules were synthesized and screened for their direct antimicrobial activity and their anti-biofilm properties. The new hybrids were intended to have a new binding mode to DNA gyrase, that will allow for a more potent antibacterial effect, and for activity against current quinolone-resistant bacterial strains. Moreover, the thiazolidinedione moiety aimed to include additional anti-pathogenicity by preventing biofilm formation. The resulting compounds showed promising direct activity against Gram-negative strains, and anti-biofilm activity against Gram-positive strains. Docking studies and ADMET were also used in order to explain the biological properties and revealed some potential advantages over the parent molecule norfloxacin.

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