Synthesis and QSAR Analysis of Diaryl Ethers and Their Analogues as Potential Antiviral Agents. Issue 34 (7th September 2022)

• Record Type: Journal Article
• Authors: Nikolova, Ivanka; Slavchev, Ivaylo; Zagranyarska, Irena; Nikolova, Nadya; Vilhelmova, Neli; Stoyanova, Adelina; Grozdanov, Petar; Mukova, Lucia; Galabov, Angel S.; Lessigiarska, Iglika; Tsakovska, Ivanka; Dobrikov, Georgi M.
• Is Part Of: ChemistrySelect. Volume 7:Issue 34(2022)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2022-09-07
• Subjects: diarylethers -- coronavirus -- adenovirus -- QSAR -- synthesis; Chemistry -- Periodicals; 540.5
• DOI: 10.1002/slct.202203088
• Languages: English
• ISSNs: 2365-6549

Abstract

Abstract: A series of 42 diarylethers and their analogues were synthesized. All compounds were tested in vitro against six viruses. Two diarylethers in this series demonstrated selective and remarkable activity toward Human Coronavirus OC43 and Human Adenovirus 5 (SI 97.4 and 99.7, respectively). QSARs for the investigated antiviral activities were explored. The analysis was based on a large library of 113 diarylethers and their analogues comprising the compounds reported in this paper, as well as compounds previously synthesized and tested by us. Statistically reliable regression and discriminant models were derived which revealed structural and physicochemical features of the compounds important for the antiviral activities. These models may be used as guidance for synthesis of lead compounds with promising antiviral activity toward the investigated viruses. Abstract : Compound MDL‐860 is known as potent antiviral agent. In this study we synthesized 42 analogues of MDL‐860. Two diaryl ethers demonstrated the highest in vitro antiviral activity (SI∼100) against Human Coronavirus OC43 and Human Adenovirus 5. QSAR analysis based on 113 structures was performed and statistically reliable models were derived.