Skip to main content

and
  1. Article

    Open Access

    Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni

    Schistosomiasis is caused by parasites of the genus Schistosoma, which infect more than 200 million people. Praziquantel (PZQ) has been the main drug for controlling schistosomiasis for over four decades, but des...

    Lauro Ribeiro de Souza Neto, Bogar Omar Montoya, José Brandão-Neto in Scientific Reports (2024)

  2. Article

    Open Access

    Prediction of rifampicin resistance beyond the RRDR using structure-based machine learning approaches

    Rifampicin resistance is a major therapeutic challenge, particularly in tuberculosis, leprosy, P. aeruginosa and S. aureus infections, where it develops via missense mutations in gene rpoB. Previously we have hig...

    Stephanie Portelli, Yoochan Myung, Nicholas Furnham in Scientific Reports (2020)

  3. Article

    Open Access

    Understanding molecular consequences of putative drug resistant mutations in Mycobacterium tuberculosis

    Genomic studies of Mycobacterium tuberculosis bacteria have revealed loci associated with resistance to anti-tuberculosis drugs. However, the molecular consequences of polymorphism within these candidate loci rem...

    Stephanie Portelli, Jody E. Phelan, David B. Ascher, Taane G. Clark in Scientific Reports (2018)