Based on the structure of dideoxycytidine (ddc), the toxic effects of nitroso, areneimine, epoxide, hydroxyl free radical (*OH) and calcium chelating propensity respectively were evaluated using theoretical mechanistic biochemistry techniques. The 4-NH(2)group of the pyrimidine ddc structure was positive (+) for nitroso, (+) for areneimine, (+) for *OH; (+) for epoxide and negative (-) for calcium chelating propensity TMB toxic effects. The *OH was used to evaluate the TMB efficacy of ddc based on the structure of HIV. The *OH was found to be capable of damaging each of the following of the HIV structure: (1) the outer lipid membrane; (2) the glycoproteins of the envelope; (3) the viral RNA; (4) the p18 and p24 proteins in the core of the virus and (5) the reverse transcriptase replicating enzyme. The *OH is, therefore, exhibiting the characteristics of a 'bullet exterminator' for HIV:AIDS by attacking from the outwards inwards. Combination therapy of Artesunate (At) + AZT + ddc > At + AZT > AZT + ddc = At + ddc in the efficacy of HIV:AIDS was postulated.

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