Computer-Aided drug design of new 2-amino-thiophene derivatives as anti-leishmanial agents
Isadora Silva Luna, Thalisson Amorim de Souza, Marcelo Sobral da Silva, Klinger Antônio da França Rodrigues, Luciana Scotti, Marcus Tullius Scotti, Francisco Jaime Bezerra Mendonça
Topics & Concepts
Meglumine antimoniateQuantitative structure–activity relationshipChemistryAmastigoteLipinski's rule of fiveDrugLeishmaniasisLeishmaniaComputational biologyCheminformaticschEMBLCombinatorial chemistryDrug repositioningDrug discoveryStereochemistryCutaneous leishmaniasisPharmacologyBiochemistryBiologyComputer scienceParasite hostingComputational chemistryImmunologyIn silicoWorld Wide WebGeneResearch on Leishmaniasis StudiesComputational Drug Discovery MethodsSynthesis and biological activity