In vitro biological activity and in silico molecular binding studies of steroidal conjugates

Abstract

Steroidal compounds effectively participate in various biological activities, including cellular growth and proliferation, by functioning as ligands or substrates for hormone receptors and steroidogenic enzymes. Previous studies have shown the potential of steroid conjugates in targeting cancer cells and their use in cancer treatment. The previous study reported that new conjugates were developed by conjugating steroid compounds with the biologically active 4-methyl-7-hydroxycoumarin compound. In this study, the pharmacological properties of steroidal conjugates were examined and evaluated in vitro on hormone-sensitive and other cancer cell lines. The proliferation against a healthy cell line was tested in vitro to determine the selectivity index. Additionally, in silico molecular docking studies were conducted for the first time in this study to determine the binding affinities of effective conjugates. The results of this study demonstrate that steroid-based conjugates have the potential to offer a versatile approach to the treatment of various diseases.

Keywords

• Antiproliferative activity
• Bioconjugate
• 4-methyl-7-hydroxy coumarin
• Molecular docking
• Steroid.

Steroidal konjugatların in vitro biyolojik aktivite ve in silico moleküler bağlanma çalışmaları

Abstract

Steroidal bileşikler, hormon reseptörleri ve steroidojenik enzimler için ligandlar veya substratlar olarak görev yaparlar. Bu bileşikler, hücre büyümesi ve çoğalma gibi birçok biyolojik süreçte etkili rol oynarlar. Daha önce yapılan çalışmalar steroid bileşiklerinin kanser hücrelerini hedefleme ve kanser tedavisinde kullanma potansiyelini göstermektedir. Steroid bileşiklerinin biyolojik olarak aktif 4-metil-7-hidroksi kumarin bileşiği ile konjuge edilerek yeni konjugatlar geliştirildiği daha önceki çalışmada bildirildi. Bu çalışmada ise, steroidal konjugatların hormona duyarlı ve diğer kanser hücre hatları üzerinde farmakolojik özellikleri incelendi ve in vitro olarak değerlendirildi. Seçicilik indeksinin belirlenmesi amacıyla sağlıklı hücre hattına karşı proliferasyonları in vitro olarak test edildi. Ayrıca, bu çalışmada ilk olarak, etkin konjugatlar üzerinde protein-ligand etkileşimleri, bağlanma ilgilerini belirlemek amacıyla in silico moleküler bağlanma çalışmaları yapıldı. Bu çalışmanın sonuçları, steroid temelli konjugatların çeşitli hastalıkların tedavisine çok yönlü bir yaklaşım sunma potansiyeline sahip olduğunu göstermektedir.

Keywords

• Antiproliferatif aktivite
• Biyokonjugat
• 4-metil-7-hidroksi kumarin
• Moleküler bağlanma
• Steroid

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