Discovering novel inhibitors of P2Y12 receptor using structure-based virtual screening, molecular dynamics simulation and MMPBSA approaches
Sobia Ahsan Halim, Muhammad Waqas, Ayesha Asim, Majid Khan, Ajmal Khan, Ahmed Al‐Harrasi
Topics & Concepts
PharmacophoreP2Y12Molecular dynamicsVirtual screeningIn silicoDocking (animal)ChemistryComputational biologyCombinatorial chemistryStereochemistryComputational chemistryBiochemistryClopidogrelBiologyAspirinNursingMedicineGeneSynthesis of β-Lactam CompoundsAntiplatelet Therapy and Cardiovascular DiseasesChemical Synthesis and Analysis