BACKGROUND: Drug repositioning is a current strategy to find new uses for existing drugs, patented or not, and for late-stage candidates that failed for lack of efficacy. RESULTS: In silico profiling of several marketed drugs (methadone, rapamycin, saquinavir and telmisartan) was performed, exploiting a vast amount of published information. Similar compounds were assessed in terms of target-activity profiles for major drug-target families. In silico profiles were visualized within an interactive heat map and detailed analysis was performed associated with the accessible current knowledge. CONCLUSION: Based on a basic principle assuming that similar molecules share similar target activity, new potential targets and, therefore, opportunities of potential new indications have been identified and discussed.
BACKGROUND: Drug repositioning is a current strategy to find new uses for existing drugs, patented or not, and for late-stage candidates that failed for lack of efficacy. RESULTS: In silico profiling of several marketed drugs (methadone, rapamycin, saquinavir and telmisartan) was performed, exploiting a vast amount of published information. Similar compounds were assessed in terms of target-activity profiles for major drug-target families. In silico profiles were visualized within an interactive heat map and detailed analysis was performed associated with the accessible current knowledge. CONCLUSION: Based on a basic principle assuming that similar molecules share similar target activity, new potential targets and, therefore, opportunities of potential new indications have been identified and discussed.
Authors: Olga Maria Lage; María C Ramos; Rita Calisto; Eduarda Almeida; Vitor Vasconcelos; Francisca Vicente Journal: Mar Drugs Date: 2018-08-14 Impact factor: 5.118
Authors: Rose B Joachim; Gabriel M Altschuler; John N Hutchinson; Hector R Wong; Winston A Hide; Lester Kobzik Journal: Mol Syst Biol Date: 2018-05-17 Impact factor: 11.429