Basicities of some 9-substituted acridine-4-carboxamides: A density functional theory (DFT) calculation

Journal of Chemical Sciences

Volumn 116, Issue 4, 2004, Pages 235-241

  Parajuli, Raghab ^a   Medhi, C ^a  

^a GAUHATI UNIVERSITY   (India)

Author keywords

Anticancer drugs; Carboxatnide; DFT method; DNA binding

Indexed keywords

AMINO ACIDS; CARCINOGENS; COMPUTATIONAL METHODS; DNA; DRUG PRODUCTS; HYDROGEN BONDS; IONIZATION; NITROGEN; POLARIZATION; SUBSTITUTION REACTIONS;

ANTICANCER DRUGS; CARBOXAMIDE; DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONS; DFT METHOD; DNA BINDING;

CARBON INORGANIC COMPOUNDS;

EID: 3943108865     PISSN: 02534134     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02708273     Document Type: Conference Paper

References (37)

1. (a) Mason J S and Pickell S D 1997 Perspect. Drug Des. 7/8 85;
2. (b) Albert A 1996 The acridines 2nd edn (London: Arnold)
3. Norris D A, Puri N and Sinko P J 1998 Adv. Drug Deliv. Res. 34 135
4. Jani P, McCarthy D E and Florence AT 1992 Int. J. Pharmaceut. 86 239
5. Atwell G J, Cain B F, Baguley B C, Finley G J and Denny W A 1984 J. Med. Chem. 27 1481
6. Denny W A, Atwell G J, Baguley B C and Wallelin L P G 1985 J. Med. Chem. 28 1568
7. Muller W and Crothers D M 1968 J. Mol Biol. 35 251
8. Zee-Cheng R K Y and Cheng C C 1978 J. Med. Chem. 21 291
9. Atwell G J, Rewcastle G W, Baguley B C and Denny W A 1987 J. Med. Chem. 30 664
10. Spicer J A, Gamage S A, Atwell G J, Baguley B C Finlay G J and Denny W A 1997 J. Med. Chem. 40 1919
11. Chew O P, Deady L W, Baguley B C and Denny W A 1994 J. Med. Chem. 37 593
12. Finlay G J and Baguley B C 1984 Eur. J. Cancer Clin. Oncol. 20 947
13. Smith C A, Chang H C, Struve W S, Atwell G J and Denny W A 1995 J. Phys, Chem. 99 927
14. Baguley B C, Denny W A, Atwell G J and Cain B F 1981 J. Med. Chem. 24 170
15. Liu S B, Ayers P W and Parr R G 1999 J. Chem. Phys. 111 6197
16. Novoa J J and Sosa C 1995 J. Phys. Chem. 99 15837
17. Pearson R G 1963 J. Am. Chem. Soc. 85 3533
18. Profit F D, Liu S and Parr R G 1997 J. Chem. Phys. 107 3000
19. (a) Ayers P W and Parr R G 2000 J. Am. Chem. Soc. 122 2010;
20. (b) Ayers P W, Morrison R C and Roy R K 2002 J. Chem. Phys. 116 8731;
21. (c) Ayers P W and Parr R G 2001 J. Am. Chem. Soc. 123 2007
22. (a) Roy R K, Pal S and Hirao K 1999 J. Chem. Phys. 110 8236;
23. (b) Roy R K, Hirao K and Pal S 2000 J. Chem. Phys. 113 1372;
24. (c) Roy R K, Hirao K, Krishnamurty S and Pal S 2001 J. Chem. Phys, 115 7 2902
25. Zhang Q, Bell R and Truong T N 1995 J. Phys. Chem. 99 592
26. Sim F, St. Amant F A, Papai I and Salahub D R 1992 J. Am. Chem. Soc. 114 4391
27. Sodupe M, Oliva A and Bertran J 1997 J. Phys Chem. A101 9142
28. Baker J, Muir M and Andzelm J 1995 J. Chem. Phys. 102 2063
29. Cysewski P 1998 J. Chem. Soc., Faraday Trans. 94 3117
30. Gonzalez L, Mo O, Yanez M and Elguero J 1996 J. Mol. Struct. Theochem. 371 1
31. Latajka Z, Bouteiller Y and Scheiner S 1995 Chem. Phys. Lett. 234 159
32. Gill P M W, Johnson B G, Pople J A and Frisch M J 1992 Int. J. Quan. Chem. S26 319
33. Handly N C, Knowles P Z and Somasundran K 1985 Theor. Chem. Acta 68 87
34. Tozer D J, Handy N C, Amos R D, Pople J A, Nobes R H, Yaoming X and Schaefer H F 1993 Mol. Phys. 79 777
35. Platts J A and Howard S T 1996 J. Org. Chem. 61 4480
36. Medhi C 2002 Int. J. Chem. Inf. Comput. Sci. 3 598
37. Frisch M J et al 1995 Gaussian 94; Gaussian Inc, Pittsburgh, PA