Structure-based computational design of novel covalent binders for the treatment of sickle cell disease
Abdeen Tunde Ogunlana, Ibrahim Damilare Boyenle, Taiwo Ooreoluwa Ojo, Bolaji Olawale Quadri, Oluwabamise Emmanuel Elegbeleye, Henry Nnaemeka Ogbonna, Sukurat Oluwatoyin Ayoola, Ibrahim Omotolase Badmus, Amena Khatun Manica, Kehinde Isaah Joshua, Olubunmi Wuraola Onikute, Joy P. Anamelechi, Abayomi Odetunde, Adeyinka G. Falusi, Abdul-Quddus Kehinde Oyedele
Topics & Concepts
Drug discoveryPubChemVirtual screeningChemistryADMEIn silicoCombinatorial chemistryDocking (animal)Lipinski's rule of fiveComputational biologyDrugElectrophileSmall moleculeCovalent bondNanotechnologyPharmacologyBiochemistryMedicineMaterials scienceBiologyOrganic chemistryCatalysisGeneNursingHIV/AIDS drug development and treatmentHemoglobinopathies and Related DisordersDNA and Nucleic Acid Chemistry