AI Summary & Key Takeaways
AI InsightAs calculating electronic properties of active fragment on which regration analysis was done and results of experimental-theoretical were compared.
📌 3 Key Takeaways
Abstract
The Biaryl Imidazolyl and Triazolyl Histamine H2-receptor Antagonist activities were investigated according to Electron-Topological approach. The electronic and geometrical parameters were calculated for each one of the compounds. According to this calculation, the Electron-Topological matrices were constituted. It was seen that this fragment including two nitrogen and one carbon was responsible from activity. In a series of 32 compounds under consideration, which were divided as 17 active and 15 inactive was studied. While 15 of active compounds include active fragment, only 1 of inactive has it. As calculating electronic properties of active fragment on which regration analysis was done and results of experimental-theoretical were compared.
Özet
Biaril İmidazolil ve Triazolil bileşik serisinin Histamin H2-Reseptör antagonist aktiviteleri "Eîektron-Topolojik (ET)" yaklaşıma göre incelenmiştir. Her bileşik için elektronik ve geometrik parametreler hesaplanmıştır. Buna bağlı olarak her bir bileşiğe ait elektron-topolojik matrisler oluşturulmuştur. İki azot ve bir karbon atomunu bulunduran bu fragmentin aktiflikten sorumlu olduğu görülmüştür. İncelenen 32 tane bileşik serisinde 17 aktif ve 15 inaktif olarak belirlenen bileşikler ile çalışılmıştır. Aktif bileşiklerden 15 tanesi aktif fragmenti bulundururken, inaktif bileşiklerden sadece l'i bu fragmenti taşır. Aktif fragmentin elektronik özellikleri hesaplanarak ilgili regrasyon analizi yapılmış ve deneysel-teorik sonuçlar karşılaştırılmıştır.