Selected Publications (1998 - Present)

Calculation of Relative Binding Free Energy Differences for Fructose 1,6-Bisphosphatase Inhibitors Using the Thermodynamic Cycle Perturbation Approach
M. Rami Reddy and Mark D. Erion
J. Am. Chem. Soc. 2001, 123, 6246-6252

Isolation of a Family of Organic Anion Transporters from Human Liver and Kidney
William Sun, RongRong Wu, Paul D. van Poelje, and Mark D. Erion
Biochem. Biophys. Res. Comm. 2001, 283, 417-422

AMP Deaminase Inhibitors. 5. Design, Synthesis, and SAR of a Highly Potent Inhibitor Series
Srinivas Rao Kasibhatla, Brett C. Bookser, Wei Xiao, and Mark D. Erion
J. Med. Chem. 2001, 44, 613-618

Solid Phase Extraction Purification of Carboxylic Acid Products from 96-well Format Solution Phase Synthesis with DOWEX 1x8-400 Formate Anion Exchange Resin
Brett C. Bookser and Shirong Zhu
J. Comb. Chem. 2001, 3, 205-215

Computer-Assisted Scanning of Ligand Interactions: Analysis of the Fructose 1,6-Bisphosphatase-AMP Complex Using Free Energy Calculations
Mark D. Erion, Paul D. van Poelje, and M. Rami Reddy
J. Am. Chem. Soc. 2000, 122, 6114-6115

AMP Deaminase Inhibitors. 2. Initial Discovery of a Non-Nucleotide
Transition-State Inhibitor Series

Brett C. Bookser, Srinivas Rao Kasibhatla, James R. Appleman, and Mark D. Erion
J. Med. Chem. 2000, 43, 1495-1507

AMP Deaminase Inhibitors. 3. SAR of 3-(Carboxyarylalkyl)coformycin Aglycon
Analogues

Srinivas Rao Kasibhatla, Brett C. Bookser, Gary Probst, James R. Appleman, and Mark D. Erion
J. Med. Chem. 2000, 43, 1508-1518

AMP Deaminase Inhibitors. 4. Further N3-Substituted Coformycin Aglycon Analogues: N3-Alkylmalonates as Ribose 5'-Monophosphate Mimetics
Brett C. Bookser, Srinivas Rao Kasibhatla, and Mark D. Erion
J. Med. Chem. 2000, 43, 1519-1524

Free Energy Calculations: Use and Limitations in Predicting Ligand Binding Affinities
M. Rami Reddy, Mark D. Erion, and Atul Agarwal
Reviews in Computational Chemistry, Vol. 6, K. B. Lipkowitz and D. B. Boyd, eds., VCH Publishers: New York, 2000, pp. 217-304

Adenosine Kinase Inhibitors. 1. Synthesis, Enzyme Inhibition, and Antiseizure Activity of 5-Iodotubercidin Analogues
Bheemarao G. Ugarkar, Jay S. DaRe, Joseph J. Kopcho, Clinton E. Browne, III, Juergen M. Schanzer, James B. Wiesner, and Mark D. Erion
J. Med. Chem. 2000, 43, 2883-2893

Adenosine Kinase Inhibitors. 2. Synthesis, Enzyme Inhibition, and Antiseizure Activity of Diaryltubercidin Analogues
Bheemarao G. Ugarkar, Angelo J. Castellino, Jay S. DaRe, Joseph J. Kopcho, James B. Wiesner, Juergen M. Schanzer, and Mark D. Erion
J. Med. Chem. 2000, 43, 2894-2905

2-Benzyloxymethyl-5-(tributylstannyl)tetrazole. A Reagent for the Preparation of 5-Aryl- and 5-Heteroaryl-1H-Tetrazoles via the Stille Reaction
Brett C. Bookser
Tetrahedron Lett. 2000, 41, 2805-2809

Efficient Synthesis of Purine Analogues: An FeCl3-SiO2-Promoted Cyclization Reaction of 4,5-Diaminopyrimidines with Aldehydes Leading to 6,8,9-Trisubstituted Purines
Qun Dang, Brian S. Brown, and Mark D. Erion
Tetrahedron Lett. 2000, 41, 6559-6562

Discovery of AMP Mimetics that Exhibit High Inhibitory Potency and Specificity for AMP Deaminase
Mark D. Erion, Srinivas Rao Kasibhatla, Brett C. Bookser, Paul D. van Poelje,
M. Rami Reddy, Harry E. Gruber, and James R. Appleman
J. Am. Chem. Soc. 1999, 121, 308-319

Synthesis of Phosphonate 3-Phthalidyl Esters as Prodrugs for Potential Intracellular Delivery of Phosphonates
Qun Dang, Brian S. Brown, Paul D. van Poelje, Timothy J. Colby, and Mark D. Erion
Bioorg. Med. Chem. Lett. 1999, 9, 1505-1510

Adenosine Kinase Inhibitors as a Novel Approach to Anticonvulsant Therapy
James B. Wiesner, Bheemarao G. Ugarkar, Angelo J. Castellino, Jerzy Barankiewicz, David P. Dumas, Harry E. Gruber, Alan C. Foster, and Mark D. Erion
J. Pharm. Exp. Ther. 1999, 289, 1669-1677

Efficient Synthesis of Purines and Purine Nucleosides via an Inverse Electron Demand Diels-Alder Reaction
Qun Dang, Yan Liu, and Mark D. Erion
J. Am. Chem. Soc. 1999, 121, 5833-5834


Calculation of Relative Solvation Free Energy Differrences by Thermodynamic Perturbation Method: Dependence of Free Energy Results on Simulation Length
M. Rami Reddy and Mark D. Erion
J. Comp. Chem. 1999, 20, 1018-1027

Structure of Human Adenosine Kinase at 1.5 Å Resolution
Irimpan I. Mathews, Mark D. Erion, and Steven E. Ealick
Biochemistry 1998, 37, 15607-15620

Calculation of Relative Hydration Free Energy Differences for Heteroaromatic Compounds: Use in the Design of Adenosine Deaminase and Cytidine Deaminase Inhibitors
Mark D. Erion and M. Rami Reddy
J. Am. Chem. Soc. 1998, 120, 3295-3304

The Therapeutic Potential of Agents Acting via Purine Receptors
James R. Appleman and Mark D. Erion
Exp. Opin. Invest. Drugs
1998, 7, 225-243