RSC Medicinal Chemistry, volume 16, issue 2, pages 732-746

Synthesis, in silico and bio-evaluation studies of new isothiocyanate derivatives with respect to COX inhibition and H₂S release profiles

Yakup Berkay Yilmaz ¹

Tugba Gungor ²

Serhat Dönmez ¹

Hazal Nazlıcan Atalay ¹

Pinar Siyah ³

Serdar Durdagi ^{4, 5, 6}

Mehmet Ay ²

Tugba Boyunegmez Tumer ⁷

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Graduate Program of Molecular Biology and Genetics, School of Graduate Studies, Canakkale Onsekiz Mart University, Canakkale, Türkiye |

Natural Products and Drug Research Laboratory, Department of Chemistry, Faculty of Science, Canakkale Onsekiz Mart University, Canakkale, Türkiye |

Department of Biochemistry, School of Pharmacy, Bahçeşehir University, Istanbul, Türkiye |

⁴

Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahçeşehir University, Istanbul, Türkiye |

⁵

Molecular Therapy Lab, Department of Pharmaceutical Chemistry, School of Pharmacy, Bahçeşehir University, Istanbul, Türkiye |

⁶

Lab for Innovative Drugs (Lab4IND), Computational Drug Design Center (HITMER), Bahçeşehir University, Istanbul, Türkiye |

⁷

Department of Molecular Biology and Genetics, Faculty of Science, Canakkale Onsekiz Mart University, Canakkale, Türkiye |

Publication type: Journal Article

Publication date: 2025-01-01

Royal Society of Chemistry (RSC)

Journal: RSC Medicinal Chemistry

scimago Q1

SJR: 0.850

CiteScore: 5.8

Impact factor: 4.1

ISSN: 26328682

DOI: 10.1039/d4md00495g

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PubMed ID: 39507615

Abstract

New isothiocyanate derivatives (I1–3 and I1a–e) were synthesized and screened for their anti-inflammatory activities and H₂S-releasing capacities. Compounds I1 and I1c demonstrated the most potent and selective COX-2 inhibition.

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Publisher

Royal Society of Chemistry (RSC)

Journal

RSC Medicinal Chemistry

scimago Q1

SJR

0.850

CiteScore

5.8

Impact factor

4.1

ISSN

26328682 (Electronic)

Synthesis, in silico and bio-evaluation studies of new isothiocyanate derivatives with respect to COX inhibition and H2S release profiles

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Synthesis, in silico and bio-evaluation studies of new isothiocyanate derivatives with respect to COX inhibition and H₂S release profiles