Molecular Recognition of Azelaic Acid and Related Molecules with DNA Polymerase I Investigated by Molecular Modeling Calculations

@article{Shawon2016MolecularRO,
  title={Molecular Recognition of Azelaic Acid and Related Molecules with DNA Polymerase I Investigated by Molecular Modeling Calculations},
  author={Jakaria Shawon and Akib Mahmud Khan and Adhip Rahman and Mohammad Mazharol Hoque and Mohammad Abdul Kader Khan and Mohammed Golam Sarwar and Mohammad A Halim},
  journal={Interdisciplinary Sciences: Computational Life Sciences},
  year={2016},
  volume={10},
  pages={525-537}
}
Molecular recognition has central role on the development of rational drug design. Binding affinity and interactions are two key components which aid to understand the molecular recognition in drug-receptor complex and crucial for structure-based drug design in medicinal chemistry. Herein, we report the binding affinity and the nonbonding interactions of azelaic acid and related compounds with the receptor DNA polymerase I (2KFN). Quantum mechanical calculation was employed to optimize the… CONTINUE READING
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