Theoretical and experimental studies of the stability of drug-drug interact.
Several factors can intervene in the molecular properties and consequently in the stability of drugs. The molecular complexes formation often occur due to favor the formation of hydrogen bonds, leading the system to configuration more energy stable. This work we aim to investigate through theoretical and experimental methods the relation between stability and properties of molecular complexes the molecular complex formed between the drugs, efavirenz (EFV), lamivudine (3TC) and zidovudine (AZT). With this study was possible determining the most stable complex formed between the compounds evaluated. In addition the energy and structural properties of the complex formed in relation to its individual components allowed us to evaluate the stability of the same.
Department of Pharmaceutical Sciences, Pernambuco Federal University, Brazil.
Monica F R
MFR
Soares
Department of Pharmaceutical Sciences, Pernambuco Federal University, Brazil.
Lariza D S
LDS
Alves
Department of Pharmaceutical Sciences, Pernambuco Federal University, Brazil. Electronic address: nady@ufpe.br.
Daniela
D
Nadvorny
Department of Pharmaceutical Sciences, Pernambuco Federal University, Brazil.
José L
JL
Soares-Sobrinho
Department of Pharmaceutical Sciences, Pernambuco Federal University, Brazil.
Pedro J
PJ
Rolim-Neto
D000480:Alkynes; D019380:Anti-HIV Agents / Q000737:chemistry*; D048588:Benzoxazines / Q000737:chemistry*; D003521:Cyclopropanes; D004347:Drug Interactions; D004355:Drug Stability; D006860:Hydrogen Bonding; D019259:Lamivudine / Q000737:chemistry*; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D013816:Thermodynamics; D015215:Zidovudine / Q000737:chemistry*
D000480:Alkynes; D019380:Anti-HIV Agents; D048588:Benzoxazines; D003521:Cyclopropanes; D019259:Lamivudine; D015215:Zidovudine; C098320:efavirenz
Density Functional Theory; Drugs compatibility; Molecular dynamics