Computationally Assisted Lead Optimization of Novel Potent and Selective MAO-B Inhibitors.

Gogineni, Vedanjali; Nael, Manal A; Chaurasiya, Narayan D; Elokely, Khaled M; McCurdy, Christopher R; Rimoldi, John M; Cutler, Stephen J; Tekwani, Babu L; León, Francisco.

Afiliação

Gogineni V; Department of BioMolecular Sciences, Division of Medicinal Chemistry, University of Mississippi, Oxford, MS 38677, USA.
Nael MA; Department of Drug Discovery, Biomedical Sciences and Public Health, College of Pharmacy, Medical University of South Carolina, Charleston, SC 29425, USA.
Chaurasiya ND; Department of Chemistry, Institute for Computational Molecular Science, Temple University, Philadelphia, PA 19122, USA.
Elokely KM; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta 31527, Egypt.
McCurdy CR; Division of Drug Discovery, Southern Research, Birmingham, AL 35205, USA.
Rimoldi JM; National Center for Natural Products Research, Research Institute of Pharmaceutical Sciences, University of Mississippi, Oxford, MS 38677, USA.
Cutler SJ; Department of Chemistry, Institute for Computational Molecular Science, Temple University, Philadelphia, PA 19122, USA.
Tekwani BL; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta 31527, Egypt.
León F; Department of BioMolecular Sciences, Division of Medicinal Chemistry, University of Mississippi, Oxford, MS 38677, USA.