Expansion of an anti-diabetic molecules library from African flora and investigation of the potential drugs Gaelle Njami Fogue, Bikele Mama Désiré Department of Chemistry, Faculty of Science, University of Douala, Cameroon We focus ourselves on the extension of the antidiabetic molecular library built from molecules elucidated from plants of the African flora in the purpose to design potential anti-drugs. Therefore, a molecular library of 28 flavonoids has been obtained from the following species: Erythrina mildbraedii, Dorstenia psilurus, Ceiba pentandra, Bauhinia megalandra, Pueraria lobata and Rhus verniciflua, Stelechocarpus ,Cauliflorus, Chorisia Crispiflora, Bombax ceiba and Arbutus unedol). 5,3'-dihydroxy-7,4',5'-trimethoxyisoflavone or vavain isolated from methanol extract of Ceiba pentandra bark after a characterization of spectral data analysis (1D, 2D, 3D NMR) has been added to the said molecular data. A rapid strident screening analysis of the molecular library extended using sucessively the rules of lipinski, oprea and verdonk has involved the following parameters: molecular weight (MW), hydrogen bond acceptor (HBA), hydrogen bond donor (HBD) and skin permeability parameter (LogKp). Unfortunately, none of our molecules has not satisfied these series of the required conditions. The examination of the permeability, absorption and distribution of the molecules in the body (using blood brain barrier (BBB), number or rotable bond (NRB), polar surface area (PSA)...) has been done. But, none of molecules explored met the mandatory constraints. In the whole, we concluded that all the molecules of our extended library have predicted not to be drug-likeness.
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© The Author(s), 2023
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