-
1
-
-
65249185090
-
Antimalarials from nature
-
Kaur, K, Jain, M, Kaur, T and Jain, R. 2009. Antimalarials from nature. Bioorg. Med. Chem., 17: 3229-3256.
-
(2009)
Bioorg. Med. Chem.
, vol.17
, pp. 3229-3256
-
-
Kaur, K.1
Jain, M.2
Kaur, T.3
Jain, R.4
-
2
-
-
62149083415
-
Synthetic medicinal chemistry of selected antimalarial natural products
-
Kumar, V, Mahajan, A and Chibale, K. 2009. Synthetic medicinal chemistry of selected antimalarial natural products. Bioorg. Med. Chem., 17: 2236-2275.
-
(2009)
Bioorg. Med. Chem.
, vol.17
, pp. 2236-2275
-
-
Kumar, V.1
Mahajan, A.2
Chibale, K.3
-
3
-
-
0021948029
-
Qinghaosu (artemisinin): An antimalarial drug from China
-
Klayman, DL. 1985. Qinghaosu (artemisinin): An antimalarial drug from China. Science, 228: 1049-1055.
-
(1985)
Science
, vol.228
, pp. 1049-1055
-
-
Klayman, D.L.1
-
4
-
-
33745109939
-
Novel approaches to antimalarial drug discovery
-
Biot, C and Chibale, K. 2006. Novel approaches to antimalarial drug discovery. Infect. Disord. Drug Targets, 6: 173-204.
-
(2006)
Infect. Disord. Drug Targets
, vol.6
, pp. 173-204
-
-
Biot, C.1
Chibale, K.2
-
5
-
-
0030176425
-
The mode of action of the antimalarial artemisinin and its derivatives
-
Kamchonwongpaisan, S and Meshnick, SR. 1996. The mode of action of the antimalarial artemisinin and its derivatives. Gen. Pharmacol., 27: 587-592.
-
(1996)
Gen. Pharmacol.
, vol.27
, pp. 587-592
-
-
Kamchonwongpaisan, S.1
Meshnick, S.R.2
-
6
-
-
0029038225
-
Evidence for Fe(IV):O in the molecular mechanism of action of the trioxane antimalarial artemisinin
-
Posner, GH, Cumming, JN, Ploypradith, P and Oh, CH. 1995. Evidence for Fe(IV):O in the molecular mechanism of action of the trioxane antimalarial artemisinin. J. Am. Chem. Soc., 117: 5885-5886.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 5885-5886
-
-
Posner, G.H.1
Cumming, J.N.2
Ploypradith, P.3
Oh, C.H.4
-
7
-
-
0029995163
-
Evidence for the importance of high valent Fe=O and of a diketone in the molecular mechanism of action of antimalarial trioxane analogues of artemisinin
-
Posner, GH, Park, SB, Gonzalez, L, Wang, D, Cumming, JN, Klinedinst, D, Shapiro, TA and Bachi, MD. 1996. Evidence for the importance of high valent Fe=O and of a diketone in the molecular mechanism of action of antimalarial trioxane analogues of artemisinin. J. Am. Chem. Soc., 118: 3537-3538.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 3537-3538
-
-
Posner, G.H.1
Park, S.B.2
Gonzalez, L.3
Wang, D.4
Cumming, J.N.5
Klinedinst, D.6
Shapiro, T.A.7
Bachi, M.D.8
-
8
-
-
4043129529
-
Development of QSAR models to predict and interpret the biological activity of artemisinin analogues
-
Guha, R and Jurs, PC. 2004. Development of QSAR models to predict and interpret the biological activity of artemisinin analogues. J. Chem. Inf. Comput. Sci., 44: 1440-1449.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 1440-1449
-
-
Guha, R.1
Jurs, P.C.2
-
9
-
-
72249107778
-
Quantitative structure-activity relationship (QSAR) of artemisinin: The development of predictive in vivo antimalarial activity models
-
Srivastava, M, Singh, H and Naik, PK. 2009. Quantitative structure-activity relationship (QSAR) of artemisinin: The development of predictive in vivo antimalarial activity models. J. Chemom., 23: 618-635.
-
(2009)
J. Chemom.
, vol.23
, pp. 618-635
-
-
Srivastava, M.1
Singh, H.2
Naik, P.K.3
-
10
-
-
0001846685
-
Structure activity relationships of peroxide based artemisinin antimalarials
-
In: Cutler SJ, Cutler HG, editors Boca Raton, FL: CRC Press
-
Avery, MA, McLean, G, Edwards, G and Ager, A. 2000. "Structure activity relationships of peroxide based artemisinin antimalarials". In Biologically Active Natural Products: Pharmaceuticals, Edited by: Cutler, SJ and Cutler, HG. 121-132. Boca Raton, FL: CRC Press.
-
(2000)
Biologically Active Natural Products: Pharmaceuticals
, pp. 121-132
-
-
Avery, M.A.1
McLean, G.2
Edwards, G.3
Ager, A.4
-
11
-
-
0032011824
-
Comparison of 3D quantitative structure-activity relationship methods: Analysis of the in vitro antimalarial activity of 154 artemisinin analogues by hypothetical active site lattice and comparative molecular field analysis
-
Woolfrey, JR, Avery, MA and Doweyko, AM. 1998. Comparison of 3D quantitative structure-activity relationship methods: Analysis of the in vitro antimalarial activity of 154 artemisinin analogues by hypothetical active site lattice and comparative molecular field analysis. J. Comput.-Aided Mol. Des., 12: 165-181.
-
(1998)
J. Comput.-Aided Mol. Des.
, vol.12
, pp. 165-181
-
-
Woolfrey, J.R.1
Avery, M.A.2
Doweyko, A.M.3
-
12
-
-
0000531811
-
Synthesis and structure-activity relationships of peroxidic antimalarials based on artemisinin
-
Avery, MA, Alvim-Gaston, M and Woolfrey, JR. 1999. Synthesis and structure-activity relationships of peroxidic antimalarials based on artemisinin. Adv. Med. Chem., 4: 125-217.
-
(1999)
Adv. Med. Chem.
, vol.4
, pp. 125-217
-
-
Avery, M.A.1
Alvim-Gaston, M.2
Woolfrey, J.R.3
-
13
-
-
0037122747
-
Structure activity relationships of the antimalarial agent artemisinin. The development of predictive in vitro potency models using CoMFA and HQSAR methodologies
-
Avery, MA, Alvim-Gaston, M, Rodrigues, CR, Barreiro, EJ, Cohen, FE, Sabnis, YA and Woolfrey, JR. 2002. Structure activity relationships of the antimalarial agent artemisinin. The development of predictive in vitro potency models using CoMFA and HQSAR methodologies. J. Med. Chem., 45: 292-303.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 292-303
-
-
Avery, M.A.1
Alvim-Gaston, M.2
Rodrigues, C.R.3
Barreiro, E.J.4
Cohen, F.E.5
Sabnis, Y.A.6
Woolfrey, J.R.7
-
14
-
-
0032111929
-
Comparative molecular field analysis of artemisinin derivatives: Ab intio versus semiempirical optimized structures
-
Tommuphean, S, Kokpol, S, Parasuk, V, Wolschann, P, Winger, RH, Liedl, KR and Rode, BM. 1998. Comparative molecular field analysis of artemisinin derivatives: Ab intio versus semiempirical optimized structures. J. Comput.-Aided Mol. Des., 12: 397-409.
-
(1998)
J. Comput.-Aided Mol. Des.
, vol.12
, pp. 397-409
-
-
Tommuphean, S.1
Kokpol, S.2
Parasuk, V.3
Wolschann, P.4
Winger, R.H.5
Liedl, K.R.6
Rode, B.M.7
-
15
-
-
0027725172
-
Structure-activity relationships of the antimalarial agent artemisinin.1. Synthesis and comparative molecular field analysis of C-9 analogues of artemisinin and 10-deoxoartemisinin
-
Avery, MA, Gao, F, Wesley, CKM, Mehrotra, S and Milhous, WK. 1993. Structure-activity relationships of the antimalarial agent artemisinin.1. Synthesis and comparative molecular field analysis of C-9 analogues of artemisinin and 10-deoxoartemisinin. J. Med. Chem., 36: 4264-4275.
-
(1993)
J. Med. Chem.
, vol.36
, pp. 4264-4275
-
-
Avery, M.A.1
Gao, F.2
Wesley, C.K.M.3
Mehrotra, S.4
Milhous, W.K.5
-
16
-
-
0036315633
-
Molecular docking and 3-D-QSAR studies on the possible antimalarial mechanism of artemisinin analogues
-
Cheng, F, Shen, J, Luo, X, Zhu, W, Gu, J, Ji, R, Jiang, H and Chen, K. 2002. Molecular docking and 3-D-QSAR studies on the possible antimalarial mechanism of artemisinin analogues. Bioorg. Med. Chem., 10: 2883-2891.
-
(2002)
Bioorg. Med. Chem.
, vol.10
, pp. 2883-2891
-
-
Cheng, F.1
Shen, J.2
Luo, X.3
Zhu, W.4
Gu, J.5
Ji, R.6
Jiang, H.7
Chen, K.8
-
17
-
-
0034320363
-
Modeling antimalarial activity: Application of kinetic energy density quantum similarity measures as descriptors in QSAR
-
Girones, X, Gallegos, A and Carbo-Dorca, R. 2000. Modeling antimalarial activity: Application of kinetic energy density quantum similarity measures as descriptors in QSAR. J. Chem. Inf. Comput. Sci., 40: 1400-1407.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 1400-1407
-
-
Girones, X.1
Gallegos, A.2
Carbo-Dorca, R.3
-
18
-
-
0034501672
-
QSAR study of antimalarial activities and artemisinin-heme binding properties obtained from docking calculations
-
Tonmunphean, S, Parasuk, V and Kokpol, S. 2000. QSAR study of antimalarial activities and artemisinin-heme binding properties obtained from docking calculations. Quant. Struct.-Act. Relat., 19: 475-483.
-
(2000)
Quant. Struct.-Act. Relat.
, vol.19
, pp. 475-483
-
-
Tonmunphean, S.1
Parasuk, V.2
Kokpol, S.3
-
19
-
-
0023751431
-
Comparative molecular field analysis (CoMFA). I. Effect of shape on binding of steroids to carrier proteins
-
Cramer, RD, Patterson, DE and Bunce, JD. 1988. Comparative molecular field analysis (CoMFA). I. Effect of shape on binding of steroids to carrier proteins. J. Am. Chem. Soc., 110: 5959-5967.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 5959-5967
-
-
Cramer, R.D.1
Patterson, D.E.2
Bunce, J.D.3
-
20
-
-
84987100711
-
Crossvalidation, bootstrapping and partial least squares compared with multiple regression in conventional QSAR studies
-
Cramer, RD, Patterson, DE, Bunce, JD and Frank, IE. 1988. Crossvalidation, bootstrapping and partial least squares compared with multiple regression in conventional QSAR studies. Quant. Struct-Act. Relat. Pharmacol., Chem. Biol., 7: 18-25.
-
(1988)
Quant. Struct-Act. Relat. Pharmacol., Chem. Biol.
, vol.7
, pp. 18-25
-
-
Cramer, R.D.1
Patterson, D.E.2
Bunce, J.D.3
Frank, I.E.4
-
21
-
-
76049125210
-
Combination of ant colony optimization with various local search strategies. A novel method for variable selection in multivariate calibration and QSPR study
-
Shamsipur, M, Zare-Shahabadi, V, Hemmateenejad, B and Akhond, M. 2009. Combination of ant colony optimization with various local search strategies. A novel method for variable selection in multivariate calibration and QSPR study. QSAR Comb. Sci., 28: 1263-1275.
-
(2009)
QSAR Comb. Sci.
, vol.28
, pp. 1263-1275
-
-
Shamsipur, M.1
Zare-Shahabadi, V.2
Hemmateenejad, B.3
Akhond, M.4
-
22
-
-
38749114675
-
Prediction of toxicity of nitrobenzenes using ab initio and least squares support vector machines
-
Niazi, A, Jameh-Bozorghi, S and Nori-Shargh, D. 2008. Prediction of toxicity of nitrobenzenes using ab initio and least squares support vector machines. J. Hazard. Mater., 151: 603-609.
-
(2008)
J. Hazard. Mater.
, vol.151
, pp. 603-609
-
-
Niazi, A.1
Jameh-Bozorghi, S.2
Nori-Shargh, D.3
-
23
-
-
34247585669
-
Quantitative structure-property relationship study of the solubility of thiazolidine-4-carboxylic acid derivatives using ab initio and genetic algorithm-partial least squares
-
Niazi, A, Jameh-Bozorghi, S and Nori-Shargh, D. 2007. Quantitative structure-property relationship study of the solubility of thiazolidine-4-carboxylic acid derivatives using ab initio and genetic algorithm-partial least squares. Chin. Chem. Lett., 18: 621-624.
-
(2007)
Chin. Chem. Lett.
, vol.18
, pp. 621-624
-
-
Niazi, A.1
Jameh-Bozorghi, S.2
Nori-Shargh, D.3
-
24
-
-
34247232136
-
Ant colony optimisation: A powerful tool for wavelength selection
-
Shamsipur, M, Zare-Shahabadi, V, Hemmateenejad, B and Akhond, M. 2006. Ant colony optimisation: A powerful tool for wavelength selection. J. Chemom., 20: 146-157.
-
(2006)
J. Chemom.
, vol.20
, pp. 146-157
-
-
Shamsipur, M.1
Zare-Shahabadi, V.2
Hemmateenejad, B.3
Akhond, M.4
-
25
-
-
85195057199
-
-
ChemDraw Ultra 6.0 and Chem3D Ultra, Cambridge Soft Corporation, Cambridge, MA, USA
-
ChemDraw Ultra 6.0 and Chem3D Ultra, Cambridge Soft Corporation, Cambridge, MA, USA
-
-
-
-
26
-
-
33847272257
-
Application of radial basis function networks and successive projections algorithm in a QSAR study of anti-HIV activity for a large group of HEPT derivatives
-
Akhlaghi, Y and Kompany-Zareh, M. 2006. Application of radial basis function networks and successive projections algorithm in a QSAR study of anti-HIV activity for a large group of HEPT derivatives. J. Chemom., 20: 1-12.
-
(2006)
J. Chemom.
, vol.20
, pp. 1-12
-
-
Akhlaghi, Y.1
Kompany-Zareh, M.2
-
28
-
-
58849088896
-
An improved QSPR study of the toxicity of aliphatic carboxylic acids using genetic algorithm
-
Kompany-Zareh, M. 2009. An improved QSPR study of the toxicity of aliphatic carboxylic acids using genetic algorithm. Med. Chem. Res., 18: 143-157.
-
(2009)
Med. Chem. Res.
, vol.18
, pp. 143-157
-
-
Kompany-Zareh, M.1
-
30
-
-
77956254719
-
Application of ant colony optimization in development of models for prediction of anti-HIV-1 activity of HEPT derivatives
-
Zare-Shahabadi, V and Abbasitabar, F. 2010. Application of ant colony optimization in development of models for prediction of anti-HIV-1 activity of HEPT derivatives. J. Comput. Chem., 31: 2354-2362.
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 2354-2362
-
-
Zare-Shahabadi, V.1
Abbasitabar, F.2
-
31
-
-
66449104970
-
An efficient variable selection method based on the use of external memory in ant colony optimization. Application to QSAR/QSPR studies
-
Shamsipur, M, Zare-Shahabadi, V, Hemmateenejad, B and Akhond, M. 2009. An efficient variable selection method based on the use of external memory in ant colony optimization. Application to QSAR/QSPR studies. Anal. Chim. Acta, 646: 39-46.
-
(2009)
Anal. Chim. Acta
, vol.646
, pp. 39-46
-
-
Shamsipur, M.1
Zare-Shahabadi, V.2
Hemmateenejad, B.3
Akhond, M.4
-
32
-
-
0018709674
-
Chance factors in studies of quantitative structure-activity relationships
-
Topliss, JG and Edwards, RP. 1979. Chance factors in studies of quantitative structure-activity relationships. J. Med. Chem., 22: 1238-1244.
-
(1979)
J. Med. Chem.
, vol.22
, pp. 1238-1244
-
-
Topliss, J.G.1
Edwards, R.P.2
-
34
-
-
0024715264
-
Molecular identification number for substructure searches
-
Burden, FR. 1989. Molecular identification number for substructure searches. J. Chem. Inf. Comput. Sci., 29: 225-227.
-
(1989)
J. Chem. Inf. Comput. Sci.
, vol.29
, pp. 225-227
-
-
Burden, F.R.1
-
35
-
-
0000610487
-
Evaluation and use of BCUT descriptors in QSAR and QSPR studies
-
Stanton, DT. 1999. Evaluation and use of BCUT descriptors in QSAR and QSPR studies. Chem. Inf. Comput. Sci., 39: 11-20.
-
(1999)
Chem. Inf. Comput. Sci.
, vol.39
, pp. 11-20
-
-
Stanton, D.T.1
|