-
1
-
-
0028357222
-
Kinetic-studies with the nonnucleoside human-immunodeficiency-virus type-1 reverse-transcriptase inhibitor u-90152e
-
Althaus, I.W., J.J. Chou, A.J. Gonzales, M.R. Deibel, K.C. Chou, F.J. Kezdy, D.L. Romero, R.C. Thomas, P.A. Aristoff, W.G. Tarpley and F. Reusser, 1994. Kinetic-studies with the nonnucleoside human-immunodeficiency-virus type-1 reverse-transcriptase inhibitor u-90152e. Biochem. Pharmacol., 47: 2017-2028. http://www.ncbi.nlm.nih.gov/pubmed/7516658.
-
(1994)
Biochem. Pharmacol
, vol.47
, pp. 2017-2028
-
-
Althaus, I.W.1
Chou, J.J.2
Gonzales, A.J.3
Deibel, M.R.4
Chou, K.C.5
Kezdy, F.J.6
Romero, D.L.7
Thomas, R.C.8
Aristoff, P.A.9
Tarpley, W.G.10
Reusser, F.11
-
2
-
-
0027318776
-
Crystal-structure of human-immunodeficiency-virus type-1 reverse-transcriptase complexed with double-stranded DNA at 3.0 angstrom resolution shows bent DNA
-
Jacobo-Molina, A., J. Ding, R.G. Nanni, A.D. Clark, X. Lu, C. Tantillo, R.L. Williams, G. Kamer, A.L. Ferris, P. Clark, A. Hizi, S.H. Hughes and E. Arnold, 1993. Crystal-structure of human-immunodeficiency-virus type-1 reverse-transcriptase complexed with double-stranded DNA at 3.0 angstrom resolution shows bent DNA. Proc. Natl. Acad. Sci. USA., 90: 6320-6324. http://www.ncbi.nlm.nih.gov/pubmed/7687065.
-
(1993)
Proc. Natl. Acad. Sci. USA
, vol.90
, pp. 6320-6324
-
-
Jacobo-Molina, A.1
Ding, J.2
Nanni, R.G.3
Clark, A.D.4
Lu, X.5
Tantillo, C.6
Williams, R.L.7
Kamer, G.8
Ferris, A.L.9
Clark, P.10
Hizi, A.11
Hughes, S.H.12
Arnold, E.13
-
3
-
-
34250082672
-
Review of HIV-1 reverse transcriptase three-dimensional structure: Implications for drug design
-
DOI: 10.1007/BF02171659
-
Nanni, R.G., J. Ding, M.A. Jacobo, S.H. Hughes and E. Arnold, 1993. Review of HIV-1 reverse transcriptase three-dimensional structure: Implications for drug design. Perspect. Drug Discov. Des., 1: 129-150. DOI: 10.1007/BF02171659.
-
(1993)
Perspect. Drug Discov. Des
, vol.1
, pp. 129-150
-
-
Nanni, R.G.1
Ding, J.2
Jacobo, M.A.3
Hughes, S.H.4
Arnold, E.5
-
4
-
-
0026693137
-
Crystal-structure at 3.5 angstrom resolution of HIV-1 reverse-transcriptase complexed with an inhibitor
-
DOI: 10.1126/science.1377403
-
Kohlstaedt, L.A., J. Wang, J.M. Friedman, P.A. Rice and T.A. Steitz, 1992. Crystal-structure at 3.5 angstrom resolution of HIV-1 reverse-transcriptase complexed with an inhibitor. Science, 256: 1783-1790. DOI: 10.1126/science.1377403.
-
(1992)
Science
, vol.256
, pp. 1783-1790
-
-
Kohlstaedt, L.A.1
Wang, J.2
Friedman, J.M.3
Rice, P.A.4
Steitz, T.A.5
-
5
-
-
0027447133
-
HIV-1-specific rt inhibitors-highly selective inhibitors of human-immunodeficiency-virus type-1 that are specifically targeted at the viral reverse-transcriptase
-
De Clercq, E., 1993. HIV-1-specific rt inhibitors-highly selective inhibitors of human-immunodeficiency-virus type-1 that are specifically targeted at the viral reverse-transcriptase. Med. Res. Rev., 13: 229-258. http://www.ncbi.nlm.nih.gov/pubmed/7683360.
-
(1993)
Med. Res. Rev
, vol.13
, pp. 229-258
-
-
De Clercq, E.1
-
6
-
-
0028029961
-
-
Pauwels, R., K. andries, Z. Debyser, M.J. Kukla, D. Schols, H.J. Breslin, R. Woestenborghs, J. Desmyter and P.A. Janssen, 1994. New tetrahydroimidazo[4, 5, 1-Jk][1, 4]-benzodiazepin-2(1h)-one and tetrahydroimidazo[4, 5, 1-Jk][1, 4]-benzodiazepin-2(1h)-thione derivatives are potent inhibitors of human-immunodeficiency-virus type-1 replication and are synergistic with 2′,3′-dideoxynucleoside analogs. Antimicrobial Agents Chemother., 38: 2863-2870. http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=188298.
-
Pauwels, R., K. andries, Z. Debyser, M.J. Kukla, D. Schols, H.J. Breslin, R. Woestenborghs, J. Desmyter and P.A. Janssen, 1994. New tetrahydroimidazo[4, 5, 1-Jk][1, 4]-benzodiazepin-2(1h)-one and tetrahydroimidazo[4, 5, 1-Jk][1, 4]-benzodiazepin-2(1h)-thione derivatives are potent inhibitors of human-immunodeficiency-virus type-1 replication and are synergistic with 2′,3′-dideoxynucleoside analogs. Antimicrobial Agents Chemother., 38: 2863-2870. http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=188298.
-
-
-
-
7
-
-
23844477186
-
Application of 3D-QSAR techniques in anti-HIV-1 drug design-An overview
-
Debnath, A.K., 2005. Application of 3D-QSAR techniques in anti-HIV-1 drug design-An overview. Curr. Pharm. Des., 11: 3091-3110. http://cat.inist.fr/?aModele=afficheN&cpsidt=17016029.
-
(2005)
Curr. Pharm. Des
, vol.11
, pp. 3091-3110
-
-
Debnath, A.K.1
-
8
-
-
0004110426
-
-
2nd Edn, Prentice Hall, New Jersey, ISBN: 0-13-439167-5, pp
-
Horton, H.R., L.A. Moran, R.S. Ochs, J.D. Rawn and K.G. Scrimgeour, 1996. Principles of Biochemistry. 2nd Edn., Prentice Hall, New Jersey, ISBN: 0-13-439167-5, pp: 57-60.
-
(1996)
Principles of Biochemistry
, pp. 57-60
-
-
Horton, H.R.1
Moran, L.A.2
Ochs, R.S.3
Rawn, J.D.4
Scrimgeour, K.G.5
-
9
-
-
13944250570
-
A new method for estimating the importance of hydrophobic groups in the binding site of a protein
-
Kelly, M.D. and R.L. Mancera, 2005. A new method for estimating the importance of hydrophobic groups in the binding site of a protein. J. Med. Chem., 48: 1069-1078. http://www.ncbi.nlm.nih.gov/pubmed/15715474.
-
(2005)
J. Med. Chem
, vol.48
, pp. 1069-1078
-
-
Kelly, M.D.1
Mancera, R.L.2
-
10
-
-
33749000228
-
New substituent constant pi derived from partition coefficients
-
Fujita, T., J. Iwasa and C. Hansch, 1964. New substituent constant pi derived from partition coefficients. J. Am. Chem. Soc., 86: 5175.
-
(1964)
J. Am. Chem. Soc
, vol.86
, pp. 5175
-
-
Fujita, T.1
Iwasa, J.2
Hansch, C.3
-
11
-
-
0015222647
-
Interpretation of protein structures-estimation of static accessibility
-
Lee, B. and F.M. Richards, 1971. Interpretation of protein structures-estimation of static accessibility. J. Mol. Biol., 55: 379-400. http://www.ncbi.nlm.nih.gov/sites/ entrez?cmd=Retrieve&db=PubMed&list_uids=5551392.
-
(1971)
J. Mol. Biol
, vol.55
, pp. 379-400
-
-
Lee, B.1
Richards, F.M.2
-
12
-
-
0015866154
-
Environment and exposure to solvent of protein atoms-lysozyme and insulin
-
Shrake, A. and J.A. Rupley, 1973. Environment and exposure to solvent of protein atoms-lysozyme and insulin. J. Mol. Biol., 79: 351-371. http://www.ncbi.nlm.nih.gov/pubmed/4760134.
-
(1973)
J. Mol. Biol
, vol.79
, pp. 351-371
-
-
Shrake, A.1
Rupley, J.A.2
-
13
-
-
67749086497
-
Hydrogen Bond in Water
-
2nd Edn, Prentice Hall, New Jersey, ISBN: 0-13-439167-5, pp
-
Horton, H.R., L.A. Moran, R.S. Ochs, J.D. Rawn and K.J. Scrimgeour, 1996. Hydrogen Bond in Water. In: Principles of Biochemistry, 2nd Edn., Prentice Hall, New Jersey, ISBN: 0-13-439167-5, pp: 36.
-
(1996)
Principles of Biochemistry
, pp. 36
-
-
Horton, H.R.1
Moran, L.A.2
Ochs, R.S.3
Rawn, J.D.4
Scrimgeour, K.J.5
-
14
-
-
0026603719
-
Synthesis and benzodiazepine receptor-binding of some 4h-pyrimido[2, 1-B]benzothiazol-4-ones
-
DOI: 10.1016/0223-5234(92)90058-9
-
Trapani, G., A. Carotti, M. Franco, A. Latrofa, G. Genchi and G. Liso, 1992. Synthesis and benzodiazepine receptor-binding of some 4h-pyrimido[2, 1-B]benzothiazol-4-ones. Eur. J. Med. Chem., 27: 39-44. DOI: 10.1016/0223-5234(92)90058-9.
-
(1992)
Eur. J. Med. Chem
, vol.27
, pp. 39-44
-
-
Trapani, G.1
Carotti, A.2
Franco, M.3
Latrofa, A.4
Genchi, G.5
Liso, G.6
-
15
-
-
0022649317
-
A new approach of structure-activity-relationships-the potential of molecular lipophily
-
Audry, E., J.P. Dubost, J.C. Colleter and P. Dallet, 1986. A new approach of structure-activity-relationships-the potential of molecular lipophily. Eur. J. Med. Chem., 21: 71-72. http://cat.inist.fr/ ?aModele=afficheN&cpsidt=7869054.
-
(1986)
Eur. J. Med. Chem
, vol.21
, pp. 71-72
-
-
Audry, E.1
Dubost, J.P.2
Colleter, J.C.3
Dallet, P.4
-
16
-
-
0024841682
-
Quantum mechanically calculated properties for the development of quantitative structure-activity-relationships (qsars)-pka values of phenols and aromatic and aliphatic carboxylic-acids
-
Gruber, C. and V. Buss, 1989. Quantum mechanically calculated properties for the development of quantitative structure-activity-relationships (qsars)-pka values of phenols and aromatic and aliphatic carboxylic-acids. Chemosphere, 19: 1595-1609. http://cat.inist.fr/ ?aModele=afficheN&cpsidt=6757473.
-
(1989)
Chemosphere
, vol.19
, pp. 1595-1609
-
-
Gruber, C.1
Buss, V.2
-
17
-
-
0024656378
-
A new method for the estimation of partition-coefficient
-
DOI: 10.1021/ja00193a003
-
Bodor, N., Z. Gabanyi and C.K. Wong, 1989. A new method for the estimation of partition-coefficient. J. Am. Chem. Soc., 111: 3783-3786. DOI: 10.1021/ja00193a003.
-
(1989)
J. Am. Chem. Soc
, vol.111
, pp. 3783-3786
-
-
Bodor, N.1
Gabanyi, Z.2
Wong, C.K.3
-
18
-
-
0000103764
-
Quantum chemical-parameters in correlation-analysis of gas-liquid chromatographic retention indexes of amines
-
Osmialowski, K., J. Halkiewicz, A. Radecki and R. Kaliszan, 1985. Quantum chemical-parameters in correlation-analysis of gas-liquid chromatographic retention indexes of amines. J. Chromatograph., 346: 53-60.
-
(1985)
J. Chromatograph
, vol.346
, pp. 53-60
-
-
Osmialowski, K.1
Halkiewicz, J.2
Radecki, A.3
Kaliszan, R.4
-
20
-
-
4243585088
-
Chemical reactivity and concept of charge-and frontier-controlled reactions
-
DOI: 10.1021/ja01004a002
-
Klopman, G., 1968. Chemical reactivity and concept of charge-and frontier-controlled reactions. J. Am. Chem Soc., 90: 223-234. DOI: 10.1021/ja01004a002.
-
(1968)
J. Am. Chem Soc
, vol.90
, pp. 223-234
-
-
Klopman, G.1
-
21
-
-
0346846506
-
Matching between lewis-acids and lewis-bases on the basis of quantitative softness values and their relation with the stability of the complexes. 1
-
DOI: 10.1016/0022-1902(80)80080-7
-
Singh, P.P., S.K.Srivastava and A.K. Srivastava, 1980. Matching between lewis-acids and lewis-bases on the basis of quantitative softness values and their relation with the stability of the complexes. 1. J. Inorg. Nucl. Chem., 42: 521-532. DOI: 10.1016/0022-1902(80)80080-7.
-
(1980)
J. Inorg. Nucl. Chem
, vol.42
, pp. 521-532
-
-
Singh, P.P.1
Srivastava, S.K.2
Srivastava, A.K.3
-
22
-
-
0348049714
-
DFT based atomic softness and its application in site selectivity
-
Singh, P.P., F.A. Pasha and H.K. Srivastava, 2003. DFT based atomic softness and its application in site selectivity. Qsar Combinatorial Sci., 22: 843-851. http://cat.inist.fr/ ?aModele=afficheN&cpsidt=15363607.
-
(2003)
Qsar Combinatorial Sci
, vol.22
, pp. 843-851
-
-
Singh, P.P.1
Pasha, F.A.2
Srivastava, H.K.3
-
23
-
-
3042829819
-
Noval application of softness parameters for regioselectivity and reaction mechanism
-
Singh, P.P., F.A. Pasha and H.K. Srivastava, 2003. Noval application of softness parameters for regioselectivity and reaction mechanism. Indian J. Chem. B., 43B: 983-991. http://cat.inist.fr/ ?aModele=afficheN&cpsidt=15740095.
-
(2003)
Indian J. Chem. B
, vol.43 B
, pp. 983-991
-
-
Singh, P.P.1
Pasha, F.A.2
Srivastava, H.K.3
-
24
-
-
15444366998
-
Semiemperical QSAR study and ligand receptor interaction of estrogens
-
DOI: 10.1007/s11030-005-2711-x
-
Pasha, F.A., P.P. Singh and H.K. Srivastava, 2005. Semiemperical QSAR study and ligand receptor interaction of estrogens. Mol. Divers., 9: 215-220. DOI: 10.1007/s11030-005-2711-x.
-
(2005)
Mol. Divers
, vol.9
, pp. 215-220
-
-
Pasha, F.A.1
Singh, P.P.2
Srivastava, H.K.3
-
25
-
-
0642278647
-
-
Dewar, M.J.S. and T.F. Morita, 1969. Ground states of conjugated molecules. 13. Basicities of Conjugated Carbonyl Compounds. J. Am. Chem. Soc., 91: 802-8.6. DOI: 10.1021/ja01032a003.
-
Dewar, M.J.S. and T.F. Morita, 1969. Ground states of conjugated molecules. 13. Basicities of Conjugated Carbonyl Compounds. J. Am. Chem. Soc., 91: 802-8.6. DOI: 10.1021/ja01032a003.
-
-
-
-
26
-
-
33845183253
-
Absolute Electronegativity and Hardness-Applications to Organic-Chemistry
-
DOI: 10.1021/jo00267a034
-
Pearson, R.G., 1989. Absolute Electronegativity and Hardness-Applications to Organic-Chemistry. J. Organ. Chem., 54: 1423-1430. DOI: 10.1021/jo00267a034.
-
(1989)
J. Organ. Chem
, vol.54
, pp. 1423-1430
-
-
Pearson, R.G.1
-
27
-
-
84988109729
-
Atomic physicochemical parameters for 3-dimensional structure-directed quantitative structure-activity-relationships. 1. partition-coefficients as a measure of hydrophobicity
-
DOI: 10.1002/ jcc.540070419
-
Ghose, A.K. and G.M. Crippen, 1986. Atomic physicochemical parameters for 3-dimensional structure-directed quantitative structure-activity-relationships. 1. partition-coefficients as a measure of hydrophobicity. J. Comput. Chem., 7: 565-577. DOI: 10.1002/ jcc.540070419.
-
(1986)
J. Comput. Chem
, vol.7
, pp. 565-577
-
-
Ghose, A.K.1
Crippen, G.M.2
-
28
-
-
84961980743
-
Cosmo-a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
-
Klamt, A. and G. Schuurmann, 1993. Cosmo-a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient. J. Chem. Soc.-Perkin Trans., 2: 799-805. http://cat.inist.fr/?aModele=afficheN&cpsidt=4780329
-
(1993)
J. Chem. Soc.-Perkin Trans
, vol.2
, pp. 799-805
-
-
Klamt, A.1
Schuurmann, G.2
-
29
-
-
84988129057
-
Optimization of parameters for semiempirical methods. 1. method
-
DOI: 10.1002/ jcc.540100208
-
Stewart, J.J.P., 1989. Optimization of parameters for semiempirical methods. 1. method. J. Comput. Chem., 10: 209-220. DOI: 10.1002/ jcc.540100208.
-
(1989)
J. Comput. Chem
, vol.10
, pp. 209-220
-
-
Stewart, J.J.P.1
-
30
-
-
0003396559
-
-
1st Edn, The Institute of Electrical Engineers, London, ISBN: 10: 0852968620, pp
-
Daniels, D.J., 1996. Surface-penetrating radar. 1st Edn., The Institute of Electrical Engineers, London, ISBN: 10: 0852968620, pp: 300.
-
(1996)
Surface-penetrating radar
, pp. 300
-
-
Daniels, D.J.1
-
31
-
-
0029623184
-
Computational methods to predict binding free energy in ligand-receptor complexes
-
DOI: 10.1021/jm00026a001
-
Ajay, A. and M.A. Murcko, 1995. Computational methods to predict binding free energy in ligand-receptor complexes. J. Med. Chem., 38: 4953-4967. DOI: 10.1021/jm00026a001.
-
(1995)
J. Med. Chem
, vol.38
, pp. 4953-4967
-
-
Ajay, A.1
Murcko, M.A.2
-
32
-
-
0011960339
-
Hydrophobicity at small and large length scales
-
Lum, K., D. Chandler and J.D. Weeks, 1999. Hydrophobicity at small and large length scales. J. Phys. Chem. B., 103: 4570-4577. http://terpconnect.umd.edu/~jdw/jpcb1034570.html.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 4570-4577
-
-
Lum, K.1
Chandler, D.2
Weeks, J.D.3
-
33
-
-
0034682487
-
Temperature and length scale dependence of hydrophobic effects and their possible implications for protein folding
-
Huang, D.M. and D. Chandler, 2000. Temperature and length scale dependence of hydrophobic effects and their possible implications for protein folding. Proc. Natl. Acad. Sci. USA., 97: 8324-8327. http://www.ncbi.nlm.nih.gov/pubmed/10890881.
-
(2000)
Proc. Natl. Acad. Sci. USA
, vol.97
, pp. 8324-8327
-
-
Huang, D.M.1
Chandler, D.2
|