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Table 5 ArgusLabs binding energy values of novel 1,2,3-triazoles (13aq)

From: Synthesis, anti-inflammatory, bactericidal activities and docking studies of novel 1,2,3-triazoles derived from ibuprofen using click chemistry

Compound Argus B.E. (K cal/mol) Elapsed time (s) GA dock energy (K cal/mol) Elapsed time (s)
13a −13.2381 22 −12.0907 21
13b −12.3289 86 −8.0643 21
13c −15.5507 18 −11.4343 25
13d −13.9083 19 −11.899 19
13e −13.4295 26 −11.7591 17
13f −13.2227 16 −1.36602 16
13g −15.0759 14 −13.2652 21
13h −12.3786 16 −14.1789 19
13i −15.9765 17 −9.5211 19
13j −14.9881 11 −15.6249 19
13k −14.1346 14 −13.3685 19
13l −14.1561 12 +3.0948 17
13m −14.1131 15 −12.7818 18
13n −14.9852 14 −12.7541 17
13o −15.4749 10 −11.1716 20
13p −12.1776 7 −12.5944 20
13q −8.1178 7 −8.7334 19
Ibuprofen −13.3519 6 −4.82611 8