Molecular dynamics (MD) simulations have become increasingly useful in the modern drug
development process. In this review, we give a broad overview of the current application …

With the increasing risk of invasive and life threating fungal infections, there is now a great
concern regarding the lower discovery rate of antifungal drugs in comparison to …

Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …

Aspergillus fungi are the cause of an array of diseases affecting humans, animals and
plants. The triazole antifungal agents itraconazole, voriconazole, isavuconazole and …

CYP51 (Erg11) belongs to the cytochrome P450 monooxygenase (CYP) superfamily and
mediates a crucial step of the synthesis of ergosterol, which is a fungal-specific sterol. It is …

Plant fungal pathogens can have devastating effects on a wide range of crops, including
cereals and fruit (such as wheat and grapes), causing losses in crop yield, which are costly …

In Candida albicans, the ERG11 gene encodes lanosterol demethylase, the target of the
azole antifungals. Mutations in ERG11 that result in an amino acid substitution alter the …

Mammalian cytochromes P450 are an important class of enzymes involved in the
biotransformation of many endo-and exogenous compounds. Cytochrome P450 isoforms …

The significant increase in the use of antifungal agents, both for the treatment of candidiasis
and invasive aspergillosis and as azole fungicides in agricultural crop protection has …

Transmembrane (TM) helices of integral membrane proteins can facilitate strong and
specific noncovalent protein–protein interactions. Mutagenesis and structural analyses have …