Structure–Activity Relationship Investigations Of Leishmanicidal <i>N</i>‐Benzylcytisine Derivatives
Malakhat A. TurabekovaChemistry Department, National University of Uzbekistan, Vuzgorodok, Tashkent, Uzbekistan. [email protected]Валентина И. ВиноградоваInstitute of Chemistry of Plant Substances, Mirzo Ulugbek Street, 77, Tashkent 100170, UzbekistanKarl A. WerbovetzCollege of Pharmacy, The Ohio State University, Columbus, OH, USAJeffrey CapersCollege of Pharmacy, The Ohio State University, Columbus, OH, USABakhtiyor RasulevInstitute of Chemistry of Plant Substances, Mirzo Ulugbek Street, 77, Tashkent 100170, UzbekistanMikhail G. LevkovichInstitute of Chemistry of Plant Substances, Mirzo Ulugbek Street, 77, Tashkent 100170, UzbekistanShukhrat B. RakhimovInstitute of Chemistry of Plant Substances, Mirzo Ulugbek Street, 77, Tashkent 100170, UzbekistanН. Д. АбдуллаевInstitute of Chemistry of Plant Substances, Mirzo Ulugbek Street, 77, Tashkent 100170, Uzbekistan
ABI
Annotatsiya
In vitro leishmanicidal activity of 16 N-benzylcytisine derivatives has been evaluated using Leishmania donovani axenic amastigotes. In general, halogen (bromo-, chloro-) derivatives appeared to be more toxic against parasites than their parent compounds. Quantum-chemical calculations helped to recognize certain patterns in the structure of frontier orbitals related to bioactivity of compounds. Thus, the presence of halogen atom is shown to have a significant effect on both distribution and the energy of LUMOs thereby on potent activity that was also confirmed by Quantitative-Structure Activity Relationship (QSAR) analysis. Experimentally and theoretically observed structure-cytotoxicity relationships are described.
Hali tarjima qilinmagan