Novel Non-Peptide Inhibitors against SmCL1 of Schistosoma mansoni: In Silico Elucidation, Implications and Evaluation via Knowledge Based Drug Discovery.

Zafar, Atif

Novel Non-Peptide Inhibitors against SmCL1 of Schistosoma mansoni: In Silico Elucidation, Implications and Evaluation via Knowledge Based Drug Discovery. [electronic resource] - PloS one 2015 - e0123996 p. digital

Publication Type: Journal Article

1932-6203

10.1371/journal.pone.0123996 doi


Algorithms
Amino Acid Sequence
Animals
Anthelmintics--chemistry
Catalytic Domain
Cathepsins--antagonists & inhibitors
Computer Simulation
Drug Discovery
Drug Evaluation, Preclinical
Helminth Proteins--antagonists & inhibitors
Hydrogen Bonding
Knowledge
Ligands
Molecular Dynamics Simulation
Molecular Sequence Data
Peptides--pharmacology
Protease Inhibitors--chemistry
ROC Curve
Reproducibility of Results
Schistosoma mansoni--drug effects
Sequence Alignment
Sequence Homology, Amino Acid
Static Electricity
Structure-Activity Relationship
Thermodynamics