Elvan ÜSTÜN, Neslihan ŞAHİN

NHC Tipi Moleküllerin ve NHC-Ag Komplekslerin VEGFR-2 ve DNA ile Etkileşimlerinin Analizi: Moleküler Doking Çalışması

Moleküler doking, ilaç araştırmalarında önemli bir araçtır. Bu hesaplamalar sayesinde moleküllerin hedef moleküllerle olan etkileşimlerinin türü ve büyüklüğü değerlendirilir. Güncel bilimsel gelişmelerle elde edilen sonuçlar kullanılarak, bilinen deneysel yöntemlere göre daha detaylı analizleri kolay ve ekonomik bir şekilde gerçekleştirmek ve biyoaktivite tipine bağlı olarak farklı hedef moleküller ile etkileşimleri incelemek de mümkündür. Kanser araştırmaları vasküler endotelyal büyüme faktörünün, kanser hücrelerinin büyümesi ve çoğalmasında etkili olduğunu göstermektedir. Bu faktörün salımını düzenleyen reseptörün inhibisyonu, bir antikanser ajanı tasarlamak için etkili bir yöntem olabilir. Bu reseptörlerden biri VEGFR-2'dir. Bu reseptör, kanser araştırmalarında bir hedef molekül olarak kullanılabilir. Ayrıca moleküllerin DNA ile etkileşimi ileride yapılacak çalışmalara ışık tutması açısından önemlidir. Bu çalışmada, VEGFR2 ve DNA ile 1-allil-3-benzilbenzimidazolyum, 1-allil-3-(naftilmetil)benzimidazolyum, 1-allil-3 (antrasen-9-il-metil)benzimidazolyum, kloro[1-allil-3-benzilbenzimidazolyum-2- iliden]gümüş(I), kloro[1-allil-3-(naftilmetil)benzimidazolyum-2-iliden]gümüş (I), kloro[1-allil3-(antrasen-9-il-metil)benzimidazolium-2-iliden]gümüş(I) bileşiklerinin etkileşimi moleküler doking yöntemleriyle analiz edildi.

Analysis of Interactions of NHC Type Molecules and NHC-Ag Complexes with VEGFR-2 and DNA: A Molecular Docking Study

Molecular docking is an important tool in drug research. Thanks to these calculations, thetype and magnitude of interactions of the molecules with target molecules are evaluated. It is alsopossible to perform more detailed analyzes than known experimental methods in an easy andeconomical way by using the results obtained with current scientific developments and examineinteractions with different target molecules depending on bioactivity type. Cancer researchesshow that vascular endothelial growth factor is effective in the growth and proliferation of cancercells. Inhibition of the receptor that regulates the release of this factor may be an efficient methodfor designing an anticancer agent. One of these receptors is VEGFR-2. This receptor can be usedas a target molecule in cancer research. In addition, the interaction of molecules with DNA isimportant in terms of getting insight for future studies. In this study, the interaction of 1-allyl-3-benzylbenzimidazolium, 1-allyl-3-(naphthylmethyl)benzimidazolium, 1-allyl-3-(anthracen-9-ylmethyl)benzimidazolium,chloro[1-allyl-3-benzylbenzimidazolium-2-ylidene]silver(I), chloro[1-allyl-3-(naphthylmethyl)benzimidazolium-2-ylidene]silver(I), chloro[1-allyl-3-(anthracen-9-ylmethyl)benzimidazolium-2-ylidene]silver(I) with VEGFR-2 and DNA were analyzed bymolecular docking methods.

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