N-Alkylated Tetrazole Derivative Compounds and Investigation of Absorption, Distribution, Metabolism and Excretion (ADME) Properties

Abstract

Tetrazoles are heterocyclic compounds. The compounds containing the tetrazole ring are frequently used in drug synthesis due to their pharmacological activities such as antiviral, antibacterial, antifungal, antiallergic, antiulcer, anticonvulsant, anti-inflammatory, antituberculosis. Tetrazole derivated drug Losartan is used to treat high blood pressure, Tomelukast asthma. In this study, N-alkylated tetrazole derivatives containing substituted aromatic rings were synthesized. The structures of the synthesized compounds were determined by spectroscopic methods. At the same time, ADME (absorption, distribution, metabolism and excretion) properties of the synthesized molecules were investigated as silico. Theoretically, the percentages of absorption from the small intestine of compounds 4a, 4b and 4c were calculated and very high values were found, such as 93.95, 93.95 and 90.77, respectively. These compounds containing the tetrazole ring easily cross the blood brain barrier, which is an important property for molecules that will affect the central nervous system. Therefore, it can be said that these compounds are good candidates for the synthesis of antidepressant drugs.

Keywords

• Heterocyclic Compounds
• Tetrazole
• ADME
• Pharmacokinetic

N-Alkillenmiş Tetrazol Türevi Bileşiklerin Absorpsiyon, Dağılım, Metabolizma ve Atılım (ADME) Özelliklerinin Araştırılması

Abstract

Tetrazoller heterosiklik bileşiklerdir. Tetrazol halkası içeren bileşikler, antiviral, antibakteriyel, antifungal, antialerjik, antiülser, antikonvülsan, antiinflamatuar, antitüberküloz gibi farmakolojik etkinliklerinden dolayı ilaç sentezinde sıklıkla kullanılır. Tetrazol türevi bir ilaç olan Losartan yüksek tansiyon, Tomelukast astım tedavisinde kullanılır. Bu çalışmada, aromatik halkalar içeren N-alkillenmiş tetrazol türevleri sentezlendi. Sentezlenen bileşiklerin yapıları spektroskopik yöntemlerle aydınlatıldı. Aynı zamanda, sentezlenen moleküllerin ADME (absorpsiyon, dağılım, metabolizma ve atılım) özellikleri in silico olarak incelendi. Teorik olarak, bileşik 4a, 4b ve 4c'nin ince bağırsağından absorpsiyon yüzdeleri hesaplandı ve sırasıyla 93,95, 93,95 ve 90,77 gibi çok yüksek değerler bulundu. Tetrazol halkasını içeren bu bileşikler, merkezi sinir sistemini etkileyecek moleküller için önemli bir özellik olan kan beyin bariyerini kolayca geçerler. Bu nedenle, bu bileşiklerin antidepresan ilaçların sentezi için iyi adaylar oldukları söylenebilir.

Keywords

• Heterosiklik Bileşik
• Tetrazol
• ADME
• Farmakokinetik

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