02464nas a2200229 4500008004100000245011700041210006900158260001900227300001400246490000700260520178900267653001802056653001302074653001402087100001502101700001602116700001802132700001502150700001702165700001602182856003602198 2021 eng d00aAntibacterial Activities of Cationic Porphyrins and Porphyrin Encapsulated Gold Nanorods on Bacterial Cell Lines0 aAntibacterial Activities of Cationic Porphyrins and Porphyrin En cSeptember 2021 a1086-10960 v133 a

Bacterial infections form part of the major causes of mortality and morbidity around the world more especially in developing and under-developed countries. Cationic porphyrins have been reported to display better efficacy in antimicrobial photodynamic therapy activity. The purpose of this study was to synthesise the cationic porphyrins; (TAP) and (TPyP) and evaluate their pharmacokinetics and metabolic interactions with the DNA gyrase subunit A. The antibacterial activity of the nano-conjugates was evaluated against Staphylococcus aureus (ATCC 25925), Enterococcus faecalis (ATCC 29212) and Klebsiella pneumoniae (ATCC 4352) using the micro-dilution assay without light. AutoDock Vina was used to assess the molecular interactions between ligands and the DNA gyrase subunit A. The SwissADME online tool was used to assess the pharmacokinetic properties of the nano-conjugates, while the ADMETlab online tool was used to assess the ability to inhibit the hERG gene, human hepatotoxicity and mutagenicity. The test nano-conjugates showed broad-spectrum antibacterial activity against all tested bacterial strains with the MIC values in a range of 0.42 ± 0.1 to2.6 ± 0.7 mg/ml. The nano-conjugates revealed good molecular interaction with DNA gyrase subunit A with their binding free energy in the range of -8.3 to -8.7 kcal/ mol. They are predicted to be P-glycoprotein (P-gp) substrates, able to penetrate the blood-brain barrier and non-inhibitors of cytochrome P450 (CYP) isomers (CYP 2C19, CYP 2C9 and CYP 2D6). Both nanoconjugates have the potential to cause cardiotoxic and mutagenic effects but not hepatotoxic effects. The results show that the synthesized compounds have the potential as anti-bacterial PDT agents.

10aAntimicrobial10aBacteria10aPorphyrin1 aN, Hlapisi1 aTS, Maliehe1 aOS, Oluwafemi1 aSP, Songca1 aL, Linganiso1 aTE, Motaung uhttps://phcogj.com/article/1637