A model of the phenomenon of small-molecule association on a polymeric template is proposed and computational methods for obtaining structural information on such systems are discussed. The case for which interactions between small molecules are dominant is treated in detail. For such cases, it is suggested that an approximate structure for the small-molecule chain can be obtained prior to the explicit consideration of interactions between the small molecules and the polymer. A novel method of constructing the small-molecule chains and evaluating the likelihood of formation on the polymeric template is suggested. This method incorporates some well-established properties of periodic molecular solids and energy calculations using the device of atom-atom potentials. The computational results for a test system are compared to the experimental structure. It is found that the stoichiometry of the complex is easily established. The "discriminating power" of the procedure is surprisingly good; the test calculations resulted in only two unique models for the structure of the small-molecule chain. Moreover, the agreement between one of the calculated structures and the experimental structure is excellent.

Potent, cell-permeable, and subtype-selective sialyltransferase inhibitors represent an attractive family of substances that can potentially be used for the clinical treatment of cancer metastasis. These substances operate by specifically inhibiting sialyltransferase-mediated hypersialylation of cell surface glycoproteins or glycolipids, which then blocks the sialic acid recognition pathway and leads to deterioration of cell motility and invasion. A vast amount of evidence for the in vitro and in vivo effects of sialyltransferase inhibition or knockdown on tumor progression and tumor cell metastasis or colonization has been accumulated over the past decades. In this regard, this review comprehensively discusses the results of studies that have led to the recent discovery and development of sialyltransferase inhibitors, their potential biomedical applications in the treatment of cancer metastasis, and their current limitations and future opportunities.

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