Dankani, Abduljabbar I.; Aminu, Suleiman; Saidu, Umar; Ladan, Mukhtar J. published an article in 2022, the title of the article was Analogues of dipicolinic acid, phenanthroline, and N-ethylmaleimide as potential inhibitors of Plasmodium falciparum falcilysin.Application of 473-81-4 And the article contains the following content:
In a bid to meet its amino acid requirements, Plasmodium falciparum utilizes falcilysin (in addition to other proteases) to aid in cleaving the host Hb at the polar residues. The dependence of the parasite on the host Hb could lead to increased disease severity in the host. In this study, mol. docking analyses were used to evaluate the binding interactions of dipicolinic acid, phenanthroline, and N-ethylmaleimide analogs to P. falciparum falcilysin. The protein databank and the CheBI database were used to find P. falciparum falcilysin and the compounds, resp. The protein and the collected compounds were imported into PyRx virtual screening software and the docking was initiated. Following that, Discovery Studio was utilized to virtualize the 2D and 3D interactions. The binding energies of 4,7-diphenyl-1,10- phenanthroline 4′,4″-disulfonate and 4,7-diphenyl-1,10-phenanthroline 4′,4″-disulfonic acid were both more than -10.0 kcal/mol among the phenanthroline analogs while only oleanolic acid and N-ethylsuccinimide-mycothiol conjugate from the dipicolinic acid and Nethylmaleimide analogs had binding energies of -9.7 and -9.4 kcal/mol resp. The higher binding energies were attributable to hydrogen bond interactions as well as other interactions between the chems. and the amino acid residues of the falcilysin. The analogs were shown to be moderately safe in pharmacokinetic investigations and scaled Lipinski′s rule of five (RO5). The findings of the study revealed that analogs of dipicolinic acid, phenanthroline, and N-ethylmaleimide could serve as potential inhibitors of P. falciparum falcilysin. Thus, the compounds can be used as leads or structural scaffolds in the hunt for new therapeutic candidates against the enzyme. The experimental process involved the reaction of 2,3-Dihydroxypropanoic acid(cas: 473-81-4).Application of 473-81-4
The Article related to plasmodium falcilysin dipicolinic acid phenanthroline n ethylmaleimide, Placeholder for records without volume info and other aspects.Application of 473-81-4
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