In Silico prediction of antibacterial activity of sesquiterpene lactones using density-functional theory and quantitative structure-activity relationship methods

The growing resistance developed by bacteria to antibiotics is a problem that involves every social stratum. Therefore, the development of new and effective anti-bacterial components is of vital importance for our society. Sesquiterpene Lactones (STL) are a group of secondary metabolites isolated fr...

• المؤلف الرئيسي: Puga Montesdeoca, Fabián Aníbal (author)
• التنسيق: bachelorThesis
• اللغة: eng
• منشور في: 2020
• الموضوعات: Conformers; DFT; DFTB; Methicillin-Resistant Staphylococcus Aureus; xTB; CREST; ORCA; Descriptors
• الوصول للمادة أونلاين: http://repositorio.yachaytech.edu.ec/handle/123456789/291