Semiempirical studies on the interactions of dialkyldi(aquo)tin cations, [R2Sn(H2O)2]2+, with selected nucleotides |
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Authors: | Eduardo P. Cassús Sergio P. Machado James L. Wardell |
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Affiliation: | 1. Centro de Pesquisa Leopoldo A. Miguez de Mello, CENPES, Ilha do Fund?o, Q. 7, Cidade Universitária, Rio de Janeiro, Brazil;2. Departamento de Química Inorganica, Instituto de Química, Universidade Federal do Rio de Janeiro, CP 68563, 21945‐970 Rio de Janeiro, RJ, Brazil |
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Abstract: | Semiempirical calculations have been carried out on the interactions of [R2Sn(H2O)2]2+, [R = H(CH2)n: n = 1–8], mainly with five nucleotides, 5′‐adenosine monophosphate (5′‐AMP), but also with guanosine 5′‐monophosphate (5′‐GMP), cytidine 5′‐monophosphate (5′‐CMP), uridine‐5′‐monophosphate (5′‐UMP) and inosine 5′‐monophosphate (5′‐IMP). The preferred sites of interaction were calculated to be the ribose O2 and O3 hydroxyl oxygens and/or the phosphate oxygens, with the nitrogen sites in the bases the least attractive to the tin compounds. This is in general agreement with experimental findings. Structures of the 1:1 coordination complexes vary from distorted tetrahedral, to distorted trigonal pyramidal to distorted octahedral geometries. Copyright © 2007 John Wiley & Sons, Ltd. |
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Keywords: | diorganotin nucleotides AMI calculations |
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