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Sökning: WFRF:(Kulkarni Girish S.)

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  • Kaur, Inderpreet, et al. (författare)
  • Role of adenine and guanine sites in hole hopping in dna nanowire
  • 2009
  • Ingår i: Journal of Theoretical and Computational Chemistry. - : World Scientific. - 0219-6336. ; 8:3, s. 529-539
  • Tidskriftsartikel (refereegranskat)abstract
    • Transfer integrals for oligos with different bases have been calculated using INDO/Koopman's approximation to unveil the charge transport mechanism in DNA. The sequences, G(A)nG, n = 1, 2, …, 10; G(A)xG(A)yG, x + y = 9; and G(A)xG(A)yG(A)zG, x + y + z = 8, were employed to interpret the Guanine (G) and Adenine(A) hopping. Adenine hopping is found to be faster in G(A)nG sequences with longer Adenine bridges (n ≥ 3). Inserting G-bases in between G(A)10G led to a decrease in the value of transfer integrals. Close analysis has revealed that bridge closer to 3′-end forms a hopping bottleneck; however, the presence of bridge at 5′-end enhances the charge transfer through A-hopping. Further insertion of single G sites in G(A)xG(A)yG (where x + y = 9) reduces the transfer integrals, thus explaining the hampering of A-hopping. Hence, sequences of the type G(A)nG, n > 3, are better suited for their application as molecular wire. Finally, studies on the effect of flipping of bases, i.e. flipping G:C to C:G on transfer integrals, have revealed that helical distortions and conformational changes due to sequence variations lead to changes in coupling, which is highly unpredictable. Role of adenine and guanine sites in hole hopping in dna nanowire (PDF Download Available). Available from: https://www.researchgate.net/publication/250957192_Role_of_adenine_and_guanine_sites_in_hole_hopping_in_dna_nanowire [accessed Jul 25, 2017].
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3.
  • Upadhayaya, Shankar, et al. (författare)
  • Design, synthesis and biological evaluation of novel triazole, urea and thiourea derivatives of quinoline against Mycobacterium tuberculosis
  • 2009
  • Ingår i: Bioorganic & Medicinal Chemistry. - 0968-0896 .- 1464-3391. ; 17:13, s. 4681-4692
  • Tidskriftsartikel (refereegranskat)abstract
    • A new series of 20 quinoline derivatives possessing triazolo, ureido and thioureido substituents have been synthesized and their antimycobacterial properties have been evaluated. Compounds 10, 22 and 24 inhibited Mycobacterium tuberculosis H37Rv up to 96%, 98% and 94% respectively, at a fixed concentration of 6.25 mu g/mL. Minimum inhibitory concentration of 3.125 mu g/mL was obtained for compound 10 and 24, while for compound 22 it was 6.25 mu g/mL. Molecular docking calculations suggest critical hydrogen bonding and electrostatic interactions between polar functional groups (such as quinoline-nitrogen, urea-carbonyl and hydroxyl) of anti-mycobacterial (anti-TB) compounds and amino acids (Arg186 and Glu61) of ATP-synthase of M. tuberculosis, could be the probable reason for observed anti-mycobacterial action. (C) 2009 Elsevier Ltd. All rights reserved.
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