Cryptococcosis is one of the major invasive fungal infections distributed worldwide with
high mortality rate. C. neoformans and C. gattii are the major organisms that cause various types of infections.
Anti-fungal resistances exhibited by the mentioned species of Cryptococcus threaten their effective
prevention and treatment. There is limited information available on human to human transmission
of the pathogen and virulent factors that are responsible for Cryptococcus mediated infections.
Hence, there is high scope for understanding the mechanism, probable drug targets and scope of developing
natural therapeutic agents that possess high relevance to pharmaceutical biotechnology and medicinal
chemistry. The proposed review illustrates the role of computer-aided virtual screening for the
screening of probable drug targets and identification of natural lead candidates as therapeutic remedies.
The review initially focuses on the current perspectives on cryptococcosis, major metabolic pathways
responsible for the pathogenesis, conventional therapies and associated drug resistance, challenges and
scope of structure-based drug discovery. The review further illustrates various approaches for the prediction
of unknown drug targets, molecular modeling works, screening of natural compounds by computational
virtual screening with ideal drug likeliness and pharmacokinetic features, application of molecular
docking studies and simulation. Thus, the present review probably provides AN insight into the role of
medicinal chemistry and computational drug discovery to combat Cryptococcus infections and thereby
open a new paradigm for the development of novel natural therapeutic against various drug targets for
Keywords: Cryptococcus mediated infections, Drug resistance, Probable drug targets, Natural therapeutic agents, Computer
aided virtual screening, Ideal drug likeliness, Pharmacokinetic features, Molecular modeling, Medicinal chemistry.
Rights & PermissionsPrintExport