Evaluation study of Coumarin molecules against Glycosyltransferase enzyme of Streptococcus pneumoniae
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Author:
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ABDALKADER SAEED LATIF, ESSAM FADEL AL-JUMAILY
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Abstract:
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Computational study were performed to evaluate the effectiveness of five Coumarin molecules against Glycosyltransferase enzyme of Streptococcus pneumoniae as potential inhibitor by utilizing the 3D structure of both the Coumarin molecules (C1, C2, C3, C4, C5) and the crystal structure of the enzyme, where C3 showed the greatest potential with (-39.9 Kcal/mol) binding energy and the lowest potential was for C2 with (-16.6 Kcal/mol) compared with Sulfamethoxazole. Fifty samples were collected from Upper Respiratory Tract from patients who attended to Al-Yarmouk hospital and private laboratory in Baghdad, 28 of the samples were diagnosed as Streptococcus pneumoniae by routine culture test and confirmed by VITEK2 and those isolates were subjected to the susceptibility test against Penicillin (10µg), Imipenem (10µg), Erythromycin (15µg), Cefotaxime (30µg), Vancomycin (30µg), Levofloxacin (5µg), Tetracycline (30µg) and Sulfamethoxazole (30 µg) by disc diffusion method. 52% of 28 isolates were resistant to Sulfamethoxazole (30 µg), and rest of the isolates were sensitive to different type of antibiotic. The isolates that showed resistance was the base to evaluate the activity of Coumarin molecules by using the agar well diffusion method. Molecule (C3) exhibits the highest line of antibacterial activity against S. pneumoniae isolates where the minimum inhibitory concentration (MIC) value was (128 µg/ml) meanwhile the molecules (C1, C4 & C3) exhibit the medium line of antibacterial activity at concentration (512 µg/ml). Finally the molecule (C2) exhibits the lowest line of antibacterial activity at concentration (1024 µg/ml) against clinical isolates compared with Sulfamethoxazole.
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Keyword:
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Molecular Docking, Glycosyltransferase, Coumarin molecules, Streptococcus pneumoniae
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EOI:
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-
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DOI:
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https://doi.org/10.31838/ijpr/2020.SP1.126
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