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Quantum theoretical study of molecular mechanisms of mutation and cancer - A review

Shukla, PK and Jena, NR and Mishra, PC (2011) Quantum theoretical study of molecular mechanisms of mutation and cancer - A review. In: Proceedings of the National Academy of Sciences, India - Section A, 81A (Part 2). pp. 79-98.

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Several endogenous and exogenous chemical species, particularly the so-called reactive oxygen species (ROS) and reactive nitrogen oxide species (RNOS), attack deoxyribonucleic acid (DNA) in biological systems producing DNA lesions which hamper normal cell functioning and cause various diseases including mutation and cancer. The guanine (G) base of DNA among all the bases is most susceptible and certain modified guanines get involved in mispairing with other bases during DNA replication. The biological system repairs the abnormal base pairs, but those that are still left cause mutation and cancer. Anti-oxidants present in biological systems can scavenge the ROS and RNOS. Thus three types of molecular events occur in biological media: (i) DNA damage, (ii) DNA repair, and (iii) prevention of DNA damage by scavenging ROS and RNOS. Quantum mechanical methods may be used to unravel molecular mechanisms of such phenomena. Some recent quantum theoretical results obtained on these problems are reviewed here.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Natl Acad Sciences India.
Keywords: quantum chemical calculation;transition state;DNA;mutation; cancer
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Depositing User: Id for Latest eprints
Date Deposited: 18 Jul 2011 08:18
Last Modified: 18 Jul 2011 08:18
URI: http://eprints.iisc.ac.in/id/eprint/39081

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