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Updated: Jul 17, 2026

Structure-Guided Design and Development of Novel Cyclophilin A Inhibitors and Ganoderiol-F Derivatives: An In-Silico Approach
Published on: June 23, 2026
Topological exploration of cyclic endomorphin-1 analogues, structurally defined models for investigating the
Luca Gentilucci1, Alessandra Tolomelli, Federico Squassabia
1Dipartimento di Chimica G. Ciamician, via Selmi 2, Università degli Studi di Bologna, 40126 Bologna, Italy. luca.gentilucci@unibo.it
Abstract:
Although there have been several reports on the conformational analysis of endomorphin-1 (YPWF-NH(2)) and related MOR (mu-opioid receptor) agonists, a definitive, convincing model of the biologically active structure is not yet available. We recently reported the synthesis and pharmacological characterization of the atypical endomorphin-analogue agonist c[YpwFG]. In this paper we discuss the conformational analysis of c[YpwFG] in comparison to its epimers, for investigating the topological features responsible for ligand recognition and receptor activation, and the role of the different pharmacophores.
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