Molecular Docking Studies and Antibacterial Evaluation of Urtica massaica Leaves

Abstract

Bacterial resistance is at its peak challenging humankind and researchers dealing with microorganisms. To prevent further risk due to microbial infections, there is an emergency to solve this problem. The practice of using herbs in treating diseases is from ancient years, especially in African countries with rich natural remedies resources. Urtica Massaica from the Urticaceae family is abundantly found in Africa. Methanolic extract of leaf powder was tested against resistant microorganisms (Acinetobacter baumannii and MRSA (Methicillin-resistant Staphylococcus aureus). Ciprofloxacin was used as the standard antibacterial drug. Molecular docking studies were performed for the selected flavonoids of the plant from literature against penicillin-binding protein 2a and DNA gyrase subunit B. The results from the antimicrobial studies indicated the zone of inhibitions ranging from 6±0.00 mm to 11.67±0.33 mm. Molecular docking studies revealed the ability of Urtica flavonoids to bind with the selected target receptors. Kaempferol was found to have a higher docking score with a less binding energy of -11.25kCal/Mol and 9.83Kcal/Mol against PBP2a and DNA gyrase respectively. The results of the current study strongly indicate the need for further studies involving the isolation of pure compounds and their use against resistant bacteria.