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Updated: Aug 19, 2026

Structure-Guided Design and Development of Novel Cyclophilin A Inhibitors and Ganoderiol-F Derivatives: An In-Silico Approach
Published on: June 23, 2026
Design, synthesis and pharmacological evaluation of some novel
M T Chhabria1, C K Patel, M H Jani
1L. M. College of Pharmacy, Navrangpura, Ahmedabad, Gujarat, India. mt_chhabria@icenet.net
Abstract:
On the basis of structure based drug design we have designed a series of 2-(4-nitrophenyl)-3-methylthio-3-(substituted)arylamino acrylamides as potential antiinflammatory agents. Good 3D similarity was observed between the designed molecule and rofecoxib (r.m.s.d. 0.161). The effect of opening the central ring and introducing a spacer (-NH-) between one of the aryl rings and the central ring of the basic structure of the COX-2 inhibitors was also studied. The designed molecules were synthesised by thiocarbomylation of the 4-nitro-phenylacetamide with aryl isothiocyanates followed by subsequent methylation of the enethiolate salts. All compounds were screened for their antiinflammatory activity by the carrageenan induced rat paw edema method. Compounds 4 and 6 exhibited potent antiinflammatory activity, which was found to be comparable with the standard drug, rofecoxib. Both the potent molecules were also screened for their ulcerogenic potential in Albino rats. A very low ulcer index was observed with both compounds, although higher than rofecoxib.
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