Synthesis and Characterization of Novel Benzimidazolium Type NHC Molecule and Its Silver Complex and Their Theoretical Analysis for Potential Anti-Cancer Activity

Elvan Üstün; Neslihan Şahin

Makale detayları

Synthesis and Characterization of Novel Benzimidazolium Type NHC Molecule and Its Silver Complex and Their Theoretical Analysis for Potential Anti-Cancer Activity

Yazarlar:

Elvan Üstün | Neslihan Şahin

Yayıncı:

Giresun University

Ana Başlıklar:

Fiziksel Kimya (Diğer)

Dergi:

Karadeniz Fen Bilimleri Dergisi Vol.13 Issue 2, pp.275-287

Belge Tipi:

Makale

Yayın Tarihi:

6/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001290990

pISSN:

2564-7377

Anahtar kelimeler:

Özet:

 N-heterocyclic carbenes have initially attracted great attention of the chemists in consequence of their catalytic activity. The favorable results were also obtained in bioactivity studies for N-heterocyclic carbenes, and their transition metal complexes in following years. Theoretical methods deliver beneficial data about the several activities of molecules. One of them is the frontier orbital analysis, which supplies data about the reactivity of molecules. Another method is investigation of the molecular activity against crystals of certain macromolecules using molecular docking methods. In this study, novel 1-allyl-3-cyclohexylmethylbenzimidazoliumbromide and bromo1-allyl-3-cyclohexylmethylbenzimidazolium-2-ylidenesilverI were synthesized and characterized. The characterizations were also supported by spectroscopical and theoretical methods. In order to have foresight about the bioactivities of these molecules, molecular docking methods were used to get information about the interactions between molecules and VEGFR-2, which regulates the angiogenesis, and DNA.

 N-heterocyclic carbenes have initially attracted great attention of the chemists in consequence of their catalytic activity. The favorable results were also obtained in bioactivity studies for N-heterocyclic carbenes, and their transition metal complexes in following years. Theoretical methods deliver beneficial data about the several activities of molecules. One of them is the frontier orbital analysis, which supplies data about the reactivity of molecules. Another method is investigation of the molecular activity against crystals of certain macromolecules using molecular docking methods. In this study, novel 1-allyl-3-cyclohexylmethylbenzimidazoliumbromide and bromo1-allyl-3-cyclohexylmethylbenzimidazolium-2-ylidenesilverI were synthesized and characterized. The characterizations were also supported by spectroscopical and theoretical methods. In order to have foresight about the bioactivities of these molecules, molecular docking methods were used to get information about the interactions between molecules and VEGFR-2, which regulates the angiogenesis, and DNA.

 N-heterocyclic carbenes have initially attracted great attention of the chemists in consequence of their catalytic activity. The favorable results were also obtained in bioactivity studies for N-heterocyclic carbenes, and their transition metal complexes in following years. Theoretical methods deliver beneficial data about the several activities of molecules. One of them is the frontier orbital analysis, which supplies data about the reactivity of molecules. Another method is investigation of the molecular activity against crystals of certain macromolecules using molecular docking methods. In this study, novel 1-allyl-3-cyclohexylmethylbenzimidazoliumbromide and bromo1-allyl-3-cyclohexylmethylbenzimidazolium-2-ylidenesilverI were synthesized and characterized. The characterizations were also supported by spectroscopical and theoretical methods. In order to have foresight about the bioactivities of these molecules, molecular docking methods were used to get information about the interactions between molecules and VEGFR-2, which regulates the angiogenesis, and DNA.

 N-heterosiklik karbenler başlangıçtan günümüzü katalitik aktiviteleri dolayısıyla kimyagerlerin ilgisini çekmektedir. Sonraki yıllarda N-heterosiklik karbenlerin ve bunların metal komplekslerinin biyoaktivite çalışmalarından olumlu sonuçlar alınmıştır. Teorik metotlar moleküllerin çeşitli aktiviteleri ile ilgili kullanışlı bilgiler sunarlar. Bu teorik yöntemlerde biri moleküllerin reaktiviteleri hakkında bilgiler sunan sınır orbital analizidir. Bir başka metot ise moleküler doking yöntemleri kullanılarak belirli makromoleküllerin kristallerine karşı moleküler aktivitenin incelenmesidir. Bu çalışmada, yeni 1-allil-3-siklohekzillmetilbenzimidazolyumbromid ve bromo1-allil-3- siklohekzillmetilbenzimidazolyum-2-ylidengümüşI molekülleri sentezlenerek karakterize edilmiştir. Moleküllerin karakterizasyonları ayrıca spektroskopik ve teorik yöntemlerle desteklenmiştir. Bu moleküllerin biyoaktiviteleri ile ilgili fikir sahibi olmak için, anjiyogenezi düzenleyen VEGFR-2 ve DNA ile etkileşimleri moleküler doking yöntemleri ile analiz edilmiştir.

Makale detayları

Synthesis and Characterization of Novel Benzimidazolium Type NHC Molecule and Its Silver Complex and Their Theoretical Analysis for Potential Anti-Cancer Activity

Yazarlar:

Elvan Üstün | Neslihan Şahin

Yayıncı:

Giresun University

Ana Başlıklar:

Fiziksel Kimya (Diğer)

Dergi:

Karadeniz Fen Bilimleri Dergisi Vol.13 Issue 2, pp.275-287

Belge Tipi:

Makale

Yayın Tarihi:

6/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001290990

pISSN:

2564-7377

N-Heterocyclic Carbenes

VGEFR-2

Silver Molecules

Molecular Docking

DFTN-Heterosiklik Karbenler

VEGFR-2

Gümüş Molekülleri

Moleküler Doking

DFT

Sayı

Makale detayları

Yazarlar: Elvan Üstün | Neslihan Şahin

Yayıncı: Giresun University

Ana Başlıklar: Fiziksel Kimya (Diğer)

Dergi: Karadeniz Fen Bilimleri Dergisi Vol.13 Issue 2, pp.275-287

Belge Tipi: Makale

Yayın Tarihi: 6/2023

Belge Dili: İngilizce

Document ID (Org No.): 2001290990

pISSN: 2564-7377

Sayı

Yazarlar:

Elvan Üstün | Neslihan Şahin

Yayıncı:

Giresun University

Ana Başlıklar:

Fiziksel Kimya (Diğer)

Dergi:

Karadeniz Fen Bilimleri Dergisi Vol.13 Issue 2, pp.275-287

Belge Tipi:

Makale

Yayın Tarihi:

6/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001290990

pISSN:

2564-7377