Copper(II) species with 1‐( o ‐tolyl)biguanide: Structural characterization, ROS scavenging, antibacterial activity, biocompatibility and in silico studies

2021 ◽  
Author(s):  
Catalin Maxim ◽  
Mihaela Badea ◽  
Arpad Mihai Rostas ◽  
Mariana Carmen Chifiriuc ◽  
Gratiela Gradisteanu Pircalabioru ◽  
...  
Keyword(s):  
Antibacterial Activity ◽  
Structural Characterization ◽  
In Silico ◽  
Ros Scavenging ◽  
In Silico Studies

scholarly journals Synthesis, in silico studies and antibacterial activity of some novel 2-substituted benzimidazole derivatives

2020 ◽  
Vol 6 (1) ◽  
Author(s):  
Ramakrishna Chintakunta ◽  
Geethavani Meka
Keyword(s):  
Antibacterial Activity ◽  
Melting Point ◽  
In Silico ◽  
Software Tool ◽  
Benzimidazole Derivatives ◽  
Recrystallization Process ◽  
Standard Drug ◽  
In Silico Studies ◽  
Drug Synthesis ◽  
Percentage Absorption

Abstract Background The o-phenylenediamine is a versatile starting material for several compounds. Synthesized o-phenylenediamine and amino acids (glycine, alanine, aspartic acid, and l-proline) undergo condensation via Phillips reaction. The synthesized compound showed the promising antibacterial activity of Bacillus subtilis and Pseudomonas aeruginosa at the concentration of 100, 50, 25, 12.5, 6.25, 3.12, 1.6, 0.8, 0.4, and 0.2 μg/ml. Ciprofloxacin was used as standard drug. Synthesis of benzimidazole derivatives was carried out and purified by recrystallization process using ethanol. Substituted derivatives were characterized by melting point, TLC and spectroscopic methods include FT-IR and 1H-NMR. Results In silico studies were adopted for synthetic derivatives by Molinspiration, ChemDraw, and online software tool. Minimum inhibitory concentration (MIC) values of B. subtilis and P. aeruginosa were reported, and benzimidazole ligands and Molinspiration scores were generated and listed. Conclusion The more negative values indicate a higher binding affinity. The generated ligand observations can be visualized. Physical constants of synthesized derivates such as solubility and melting point were determined. Bioactivity scores were noted for different derivatives and predicted percentage absorption in the gut. The antibacterial activity was performed using the MIC method (aerobic).

scholarly journals Structural Characterization, In Silico Studies and In Vitro Antibacterial Evaluation of a Furanoflavonoid from Karanj

2016 ◽  
Vol 3 (04) ◽  
pp. e91-e95 ◽  
Author(s):  
Anuma Singh ◽  
Iffat Jahan ◽  
Mrinal Sharma ◽  
Latha Rangan ◽  
Alika Khare ◽  
...  
Keyword(s):  
Structural Characterization ◽  
In Silico ◽  
In Silico Studies ◽  
Antibacterial Evaluation

Antibacterial activity of Barbatimão ( Stryphnodendron adstringens ) against Staphylococcus aureus : in vitro and in silico studies

2020 ◽  
Vol 71 (3) ◽  
pp. 259-271
Author(s):  
D.A.C. Trevisan ◽  
P.V. Silva ◽  
A.B.P. Farias ◽  
P.A.Z. Campanerut‐Sá ◽  
T.D.V.R. Ribeiro ◽  
...  
Keyword(s):  
Staphylococcus Aureus ◽  
Antibacterial Activity ◽  
In Silico ◽  
In Silico Studies
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