مقالات پذیرفته شده در هفتمین کنگره بین المللی زیست پزشکی
studies of the binding ability of some pentamidine based compounds with B-DNA as anti-cancer agent by molecular docking
studies of the binding ability of some pentamidine based compounds with B-DNA as anti-cancer agent by molecular docking
Haleh eshraghi,1,*Azizeh Asadzadeh,2Fatemeh Heidaryan,3
1. Department of Biology, Faculty of Basic Scineces, Nourdanesh Institute of HiGher Education, Meymeh, Isfahan, Iran 2. Department of Biology, Faculty of Basic Scineces, Nourdanesh Institute of HiGher Education, Meymeh, Isfahan, Iran 3. Department of Biology, Faculty of Basic Scineces, Nourdanesh Institute of HiGher Education, Meymeh, Isfahan, Iran
Introduction: The connection between nucleotides in the double-stranded helix of DNA is such that grooves are created on DNA. These grooves are divided into two major grooves and minor grooves. These grooves are the places where DNA is connected to proteins, chemicals, and drugs. Today, most anticancer drugs work by interacting with DNA. A group of anticancer compounds that bind to the minor groove of DNA through covalent and non-covalent bonds are called MGBs. Pentamidine is a drug that affects the nucleus of protozoan cells and by binding to mitochondrial DNA causes cell destruction and death. This compound is known as an anti-cancer agent. Today, cancer is one of the most important genetic diseases, which is accompanied by a change in the process of natural cell division and disruption. The aim of this research is to study the binding ability of pentamidine-based compounds with B-DNA as an anti-cancer agent using molecular docking
Methods: The connection between nucleotides in the double-stranded helix of DNA is such that grooves are created on DNA. These grooves are divided into two major grooves and minor grooves. These grooves are the places where DNA is connected to proteins, chemicals, and drugs. Today, most anticancer drugs work by interacting with DNA. A group of anticancer compounds that bind to the minor groove of DNA through covalent and non-covalent bonds are called MGBs. Pentamidine is a drug that affects the nucleus of protozoan cells and by binding to mitochondrial DNA causes cell destruction and death. This compound is known as an anti-cancer agent. Today, cancer is one of the most important genetic diseases, which is accompanied by a change in the process of natural cell division and disruption. The aim of this research is to study the binding ability of pentamidine-based compounds with B-DNA as an anti-cancer agent using molecular docking
Results: e.In this research, all pentamidine derivatives bind with B-DNA and the best result is related to the docking of compound number 2 Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis- with the most negative binding energy level -8.11 and Also, compounds No. 1, 3, 4, 6, 7, 8, 10, 11, and 12 studied in this research showed more negative and better binding energy level than the standard compound.
Conclusion: According to the results of molecular docking of pentamidine derivatives in In Silico studies, these derivatives should be investigated in laboratory conditions for additional investigations.