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. 2013 Jul 30;18(8):9061–9116. doi: 10.3390/molecules18089061

Figure 3.

Figure 3

The mechanism of molecular interaction of the 1,3-disubstituted uracils, with prototype no. 31 of Table 1 (since belonging to all selected QSAR-SMILES criteria and cases of Table 3) against human immunodeficiency virus (HIV-1), after Ref. [143], through five stages: (A) the free molecular attack on the HIV viral envelope, after Ref. [144]; (B) the passage of the lipidic viral envelope of HIV under the form of longest SMILES molecular chain (LoSMoC) of Table 1, after Refs. [64,145,146]; (C) the transport though the protein layer of HIV capsid, after Refs. [147,148], yielding the Branching SMILES (BraS) configuration of Table 1 that further binds in (D) with the palm active region of p66 monomer of reverse transcriptase (RT), after Refs. [149,150], towards (E) the competitively inhibiting the RT by the formed ligand-receptor complex, after Ref. [151], by means of chemical reactivity frontier electronic transfer as detailed in the Figure 4.