BAUHINIA ACUMINATA'DAKİ SEÇİLMİŞ FİTO BİLEŞENLERİN ÇOK HEDEFLİ İNHİBİTÖR KEŞFİ İÇİN MOLEKÜLER YERLEŞTİRME STRATEJİSİ

Amaç: Günümüzde geleneksel tıp genellikle bir tür tamamlayıcı veya alternatif tıp (CAM) olarak kabul edilmektedir. Bu nedenle, çeşitli hastalıkların tedavisinde etkili olan bitkilerin belgelenmesi ve tanımlanması gelecekteki hastalık kontrol programları için hayati öneme sahiptir. Bu çalışma Bauhiniaacuminata'daki on üç bitki bileşeninin akciğer kanseri (PDB IDs: 2ITY), meme kanseri (1A52), diyabet (3L4U), obezite (IT02), inflamasyon (5COX) ve korona viral enfeksiyonlarındaki (6VYO) hedef proteinlere karşı moleküler kenetlenme analizini gerçekleştirmeyi amaçlamaktadır.

Anahtar Kelimeler:

AutoDock Vina, Bauhinia acuminata, bitki bileşenleri, discovery studio, moleküler yerleştirme

MOLECULAR DOCKING STRATEGY FOR MULTI-TARGET INHIBITOR DISCOVERY OF SELECTED PLANT CONSTITUENTS IN BAUHINIA ACUMINATA

Objective: Traditional medicine is often considered to be a kind of complementary or alternative medicine (CAM) nowadays. Therefore, documenting and identifying the herbs that are effective in treating various diseases is vital for future disease control programs. This study aims to perform a molecular docking analysis of the thirteen plant components in Bauhinia acuminata against the target proteins in lung cancer (PDB IDs: 2ITY), breast cancer (1A52), diabetes (3L4U), obesity (IT02), inflammation (5COX) and corona viral infections (6VYO).

Keywords:

AutoDock Vina, Bauhinia acuminata, discovery studio, molecular docking, plant components,

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