The Case for CASE: Computer-Assisted Structure Elucidation
Poster Apr 25, 2016
Computer-Assisted Structure Elucidation (CASE) has come to be a broadly accepted method for the derivation of novel or difficult chemical structures, especially those of natural products or drug metabolites and impurities. For completely error-free structure determination, one must first evaluate all isomers that truly match connectivity criteria defined by experiment – but it is impossible to do this manually without bias.
Modern NMR techniques give ever-increasing amounts of valuable data to substantiate structural evaluations, including lower limits of detection, and more information on connectivities. However, errors in published structures are rampant giving weight to the argument for computer-assisted evaluation of structures.
Plasmodium falciparum is evolving resistance to Artemisinin Combination Therapy. The gene with the strongest association with resistance is K13. K13 is an ortholog of the well characterized transcriptional regulator Keap1. In this work we transcriptionally characterized a mutant with a transposon inserted in the K13 promoter region which results in dysregulation of K13 at 2 points of the intraerythrocytic cycle of the life-cycle to identify the processes regulated by K13.READ MORE
PfABCk2 gene is ligated into pET21a+ vector with His-tag at C-terminus and transformed into BL-21 (DE3) competent cells that are verified through Miniprep and DNA sequencing. Furthermore, this gene construct is utilized to heterologous express this protein with IPTG and afterwards purified the recombinant protein kinase using nickel affinity chromatography as shown on 10% SDS-PAGE with the expected 36 kDa protein band.READ MORE