Molecular docking studies on binding specificity of 3, 6-and 2, 7-carbazoles with DNA duplexes

A Pandey, M Misra, AK Yadav - European Journal of …, 2021 - journals.tmkarpinski.com
Molecular docking is a widely used computational technique used to find the probabilistic
binding sites of drugs in the vicinity of macromolecules. The drugs produce their working …

[PDF][PDF] Interaction, Dynamics and Stability Analysis of Some Minor Groove Binders With B-DNA Dodecamer 5'-(CGCAAATTTGCG)-3'

A Pandey, A Upadhyaya, S Kumar, AK Yadav - Drug Des, 2020 - researchgate.net
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 …

Free energy calculations reveal the interaction and stability of ligands in the vicinity of B-DNA dodecamer

A Pandey, A Adhikari - Main Group Chemistry, 2024 - content.iospress.com
The double stranded Deoxyribonucleic acid (DNA) is stated as one of the idyllic targets for
cancer and other various diseases. The in-depth investigation of DNA-drug interaction plays …

Modeling studies on the Interactions of Endocrine Disruptive Compound BPA and its Analogs with dsDNA

A Shukla, A Pandey, D Kumar - 2024 - researchsquare.com
BPA and its derivatives have been used heavily in the manufacture of epoxy resins and
polycarbonate plastics. They are mainly used in food packaging materials, dental sealants …

Conformational Deformations Triggered in B-DNA Dodecamer due to Major & Minor Groove Binders: Insights from QM & QM/MM Calculations

A Pandey, S Kumar, R Mishra, AK Yadav - 2024 - chemrxiv.org
Deoxyribonucleic acid has become the target of interest in recent years for the number of
anticancer and antimicrobial drugs. The interaction of drugs with nucleic acid is one of the …