+44 1223 790975
Department of Physics, Institute of Science, Banaras Hindu University, Varanasi 221005, India
Interaction, Dynamics and Stability Analysis of Some Minor Groove Binders with B-DNA Dodecamer 5' (CGCAAATTTGCG)-3'
Author(s): Anwesh Pandey, Anurag Upadhyaya, Suresh Kumar* and Anil Kumar Yadav*
Deoxyribonucleic Acid (DNA) has been a known cellular target for many antibacterial and anticancer agents due to its gene expression tendencies. The interaction of drugs with nucleic acid is one of the important features in pharmacology and plays a significant role in understanding the mechanism of drug action and in designing of more efficient drugs with minimal side effects. Furans have been known since long and are often claimed to have possessed various medicinal and therapeutic tendencies. In the current research work, two class of molecules viz, 2,4-bis(4-amidinophenyl)furans and reversed diamidino 2,5-diarylfurans, were computationally studied for their relative binding strengths and stable complex formation tendencies with DNA (PDB Id: 4AH0). Molecular docking was performed to predict binding pocket of the drug in the vicinity of DNA and molecular dynamics wa.. View More»