Dihydroisocoumarins and Phenylglycosides from Scorzonera longiana, Their Antimicrobial Activities and Molecular Docking Studies

Author:

Korkmaz Büşra12ORCID,Renda Gülin1ORCID,Bozdal Gözde1ORCID,Coşkunçelebi Kamil3,Bozdeveci Arif4ORCID,Uzuner Ugur5ORCID,Yaylı Nurettin1ORCID

Affiliation:

1. Department of Pharmacognosy Faculty of Pharmacy Karadeniz Technical University 61100 Trabzon Türkiye

2. Graduate School of Health Sciences Karadeniz Technical University 61100 Trabzon Türkiye

3. Department of Biology Faculty of Arts and Science Karadeniz Technical University 61100 Trabzon Türkiye

4. Department of Biology Faculty of Arts and Science Recep Tayyip Erdoğan University 53100 Rize Türkiye

5. Department of Molecular Biology and Genetics Faculty of Science Karadeniz Technical University 61100 Trabzon Türkiye

Abstract

AbstractFive new phenyl dihydroisocoumarin glycosides (15) and two known compounds (67) were identified from the butanol fraction of Scorzonera longiana. The structures of 17 were elucidated based on spectroscopic methods. Antimicrobial, antitubercular, and antifungal evaluation of compounds 17 were carried out using the microdilution method against nine microorganisms. Compound 1 was active only against Mycobacterium smegmatis (Ms) with a MIC value of 14.84 μg/mL. All tested compounds (17) were active against Ms but only compounds 3–7 were active against fungi (C. albicans, S. cerevisiae) with MIC values of 25.0–125 μg/mL. In addition, molecular docking studies were conducted against Ms DprE1 (PDB ID: 4F4Q), Mycobacterium tuberculosis (Mbt) DprE1 (PDB ID: 6HEZ), and arabinosyltransferase C (EmbC, PDB ID: 7BVE) enzymes. Compounds 2, 5, and 7 are the most effective Ms 4F4Q inhibitors. Compound 4 was the most promising inhibitory activity on Mbt DprE with the lowest binding energy of −9,9 kcal/mol.

Funder

Karadeniz Teknik Üniversitesi

Publisher

Wiley

Subject

Molecular Biology,Molecular Medicine,General Chemistry,Biochemistry,General Medicine,Bioengineering

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