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

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

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