Potential colchicine binding site inhibitors unraveled by virtual screening, molecular dynamics and MM/PBSA
Leonardo Bruno Federico, Guilherme Martins Silva, Suzane Quintana Gomes, Isaque Antônio Galindo Francischini, Mariana Pegrucci Barcelos, Cleydson B. R. Santos, Luciano T. Costa, Joaquín M. Campos Rosa, Carlos Henrique Tomich de Paula da Silva
Topics & Concepts
ColchicineMolecular dynamicsMolecular mechanicsMicrotubuleTubulinChemistryVirtual screeningLigand (biochemistry)Binding siteBiophysicsComputational biologyBiologyComputational chemistryBiochemistryCell biologyGeneticsReceptorSynthesis and biological activityCancer therapeutics and mechanismsMetal complexes synthesis and properties