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

Yıl 2021, Cilt: 11 Sayı: 1, 113 - 125, 30.06.2021

Elvan Üstün Neslihan Şahin

https://doi.org/10.37094/adyujsci.838918

Öz

Molecular docking is an important tool in drug research. Thanks to these calculations, the type and magnitude of interactions of the molecules with target molecules are evaluated. It is also possible to perform more detailed analyzes than known experimental methods in an easy and economical way by using the results obtained with current scientific developments and examine interactions with different target molecules depending on bioactivity type. Cancer researches show that vascular endothelial growth factor is effective in the growth and proliferation of cancer cells. Inhibition of the receptor that regulates the release of this factor may be an efficient method for designing an anticancer agent. One of these receptors is VEGFR-2. This receptor can be used as a target molecule in cancer research. In addition, the interaction of molecules with DNA is important 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-yl-methyl)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-yl-methyl)benzimidazolium-2-ylidene]silver(I) with VEGFR-2 and DNA were analyzed by molecular docking methods.

Anahtar Kelimeler

Molecular docking, N-Heterocyclic carbenes, VEGFR-2, Silver complexes

Destekleyen Kurum

Technological and Scientific Research Council of Turkey (TÜBİTAK)

Proje Numarası

118R045

Teşekkür

The authors would like to thank the Technological and Scientific Research Council of Turkey (TÜBİTAK-3001, Project Number: 118R045).

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