Antimycobacterial activity and molecular docking of methanolic extracts and compounds of marine fungi from Saldanha and False Bays, South Africa

• DOI: 10.1016/j.heliyon.2022.e12406
• Publication Date: 2022-12-17T01:49:27Z
• Authors: Kudzanai Ian Tapfuma; Kudakwashe Nyambo; Francis Adu-Amank...; Lucinda Baatjies; Liezel Smith; Nasiema Allie; Marshall Keyster; Andre G. Loxton; Mkhuseli Ngxande; Rehana Malgas-Enus; Vuyo Mavumengwana
• Keywords: Antimycobacterial; Mycobacterium smegmatis; Broth microdilution

The number and diversity of drugs in the tuberculosis (TB) drug development process has increased over years, yet attrition rate remains very high, signaling need for continued research discovery. In this study, crude secondary metabolites from marine fungi associated with ascidians collected Saldanha False Bays (South Africa) were investigated antimycobacterial activity. Isolation was performed by sectioning thin inner-tissues spreading them potato dextrose agar (PDA). Solid state fermentation fungal isolates on PDA then 28 days to allow production metabolites. Afterwards, cultures dried solid-liquid extraction using methanol extract Profiling untargeted liquid chromatography quadrupole time-of-flight tandem mass spectrometry (LC-QTOF-MS/MS). broth microdilution method used determine activity against Mycobacterium smegmatis mc2155 H37Rv, while silico flexible docking selected target proteins M. tuberculosis. A total 16 sampled 46 isolated. Only 32 sequenced, their sequences submitted GenBank obtain accession numbers. Metabolite profiling 6 extracts resulted identification 65 most interesting that Clonostachys rogersoniana MGK33 which inhibited H37Rv growth minimum inhibitory concentrations (MICs) 0.125 0.2 mg/mL, respectively. These results accordance those molecular studies showed bionectin F produced C. is a potential inhibitor β-ketoacyl-acyl carrier protein reductase (MabA, PDB ID = 1UZN), score observed as -11.17 kcal/mol. findings provided evidence conclude marine-derived are sources bioactive Even though potent an essential enzyme, MabA, should be validated performing purification vitro assays MabA whole cells (M. tuberculosis).