A bifunctional nociceptin and mu opioid receptor agonist is analgesic without opioid side effects in nonhuman primates H Ding, N Kiguchi, D Yasuda, PR Daga, WE Polgar, JJ Lu, PW Czoty, ... Science translational medicine 10 (456), eaar3483, 2018 | 131 | 2018 |
Improvement of quantitative structure–activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project M Honma, A Kitazawa, A Cayley, RV Williams, C Barber, T Hanser, ... Mutagenesis 34 (1), 3-16, 2019 | 107 | 2019 |
CATMoS: collaborative acute toxicity modeling suite K Mansouri, AL Karmaus, J Fitzpatrick, G Patlewicz, P Pradeep, D Alberga, ... Environmental health perspectives 129 (4), 047013, 2021 | 96 | 2021 |
Synthesis and biological evaluation of 2, 3-diarylpyrazines and quinoxalines as selective COX-2 inhibitors SK Singh, V Saibaba, V Ravikumar, SV Rudrawar, P Daga, CS Rao, ... Bioorganic & medicinal chemistry 12 (8), 1881-1893, 2004 | 85 | 2004 |
Biochemical and structural consequences of a glycine deletion in the α-8 helix of protoporphyrinogen oxidase FE Dayan, PR Daga, SO Duke, RM Lee, PJ Tranel, RJ Doerksen Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1804 (7), 1548-1556, 2010 | 80 | 2010 |
3D-QSAR studies on c-Src kinase inhibitors and docking analyses of a potent dual kinase inhibitor of c-Src and c-Abl kinases R Thaimattam, PR Daga, R Banerjee, J Iqbal Bioorganic & medicinal chemistry 13 (15), 4704-4712, 2005 | 78 | 2005 |
Synthesis and SAR/3D-QSAR studies on the COX-2 inhibitory activity of 1, 5-diarylpyrazoles to validate the modified pharmacophore SK Singh, V Saibaba, KS Rao, PG Reddy, PR Daga, SA Rajjak, P Misra, ... European journal of medicinal chemistry 40 (10), 977-990, 2005 | 60 | 2005 |
Template-based protein modeling: recent methodological advances PR Daga, RY Patel, RJ Doerksen Current topics in medicinal chemistry 10 (1), 84-94, 2010 | 59 | 2010 |
Implementation of multiple-instance learning in drug activity prediction G Fu, X Nan, H Liu, RY Patel, PR Daga, Y Chen, DE Wilkins, RJ Doerksen BMC bioinformatics 13, 1-12, 2012 | 45 | 2012 |
Computational model of hepatitis B virus DNA polymerase: molecular dynamics and docking to understand resistant mutations PR Daga, J Duan, RJ Doerksen Protein Science 19 (4), 796-807, 2010 | 41 | 2010 |
Homology modeling and molecular dynamics simulations of the active state of the nociceptin receptor reveal new insights intoagonist binding and activation PR Daga, NT Zaveri Proteins: Structure, Function, and Bioinformatics 80 (8), 1948-1961, 2012 | 40 | 2012 |
3D-QSAR CoMFA, CoMSIA studies on substituted ureas as Raf-1 kinase inhibitors and its confirmation with structure-based studies R Thaimattam, P Daga, SA Rajjak, R Banerjee, J Iqbal Bioorganic & medicinal chemistry 12 (24), 6415-6425, 2004 | 39 | 2004 |
Latrunculin with a highly oxidized thiazolidinone ring: structure assignment and actin docking SA Ahmed, S Odde, PR Daga, JJ Bowling, MK Mesbah, DT Youssef, ... Organic letters 9 (23), 4773-4776, 2007 | 38 | 2007 |
Combined rule extraction and feature elimination in supervised classification S Liu, RY Patel, PR Daga, H Liu, G Fu, RJ Doerksen, Y Chen, DE Wilkins IEEE transactions on nanobioscience 11 (3), 228-236, 2012 | 36 | 2012 |
Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: insights from 3D-QSAR and docking S Prasanna, PR Daga, A Xie, RJ Doerksen Journal of computer-aided molecular design 23, 113-127, 2009 | 33 | 2009 |
Physiologically based pharmacokinetic modeling in lead optimization. 1. Evaluation and adaptation of gastroplus to predict bioavailability of medchem series PR Daga, MB Bolger, IS Haworth, RD Clark, EJ Martin Molecular pharmaceutics 15 (3), 821-830, 2018 | 31 | 2018 |
Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification PR Daga, WE Polgar, NT Zaveri Journal of Chemical Information and Modeling 54 (10), 2732-2743, 2014 | 29 | 2014 |
Stereoelectronic properties of spiroquinazolinones in differential PDE7 inhibitory activity PR Daga, RJ Doerksen Journal of computational chemistry 29 (12), 1945-1954, 2008 | 28 | 2008 |
Physiologically based pharmacokinetic modeling in lead optimization. 2. Rational bioavailability design by global sensitivity analysis to identify properties affecting … PR Daga, MB Bolger, IS Haworth, RD Clark, EJ Martin Molecular pharmaceutics 15 (3), 831-839, 2018 | 18 | 2018 |
Semisynthetic latrunculin B analogs: Studies of actin docking support a proposed mechanism for latrunculin bioactivity S Kudrimoti, SA Ahmed, PR Daga, AE Wahba, SI Khalifa, RJ Doerksen, ... Bioorganic & medicinal chemistry 17 (21), 7517-7522, 2009 | 13 | 2009 |