Pharmaceutical Sciences

Invited Talks

• "Structural Biology of Human CYP2C9 and CYP2C8: Impact of Genetic Polymorphisms and Ligand Binding - Gordon Research Conference. July 7-12, 2024: Holderness, NH."
• "Crystal Structure of the Human Cytochrome P450 2U1: Insights into the Active Site Architecture of an Orphan P450”. 22nd International Conference on Cytochrome P450 (ICCP450), Washington DC, July 17-21, 2022.
• “Fundamentals of Pharmacogenomics: Understanding Genetic Variations and Drug Metabolism”. Albany College of Pharmacy and Health Sciences (ACPHS) Office of Continuing Education and Professional Development. Continuing Pharmacy Education Credit: The Basics of Pharmacogenomics. NY. June 2019.
• “Genetic Polymorphisms in Drug Metabolizing Enzymes”. ASPET - Experimental Biology 2019, April 6-9, Orlando, FL.
• “Structural Basis of Drug Binding to Polymorphic Cytochrome P450 2C9”.  Department of Biochemistry, University at Buffalo, Buffalo, NY February 26, 2019.
• “Structural Basis of Genetic Polymorphisms in CYP2C9”. 16th Annual International Conference 2018 – “The Road from Nano-medicine to Precision Medicine”, Albany College of Pharmacy and Health Sciences, Albany, NY. September 17, 2018.
• “Structural Basis of Genetic Polymorphisms in Cytochrome P450 2C9. Board of Trustees meeting, Albany College of Pharmacy and Health Sciences. October 19, 2018.
• “Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog: From Plasticity to Pi Interactions in CYP2B Enzymes”. The 21st North American International Society for the Study of Xenobiotics Meeting, Providence, RI. September 24-28, 2017.
• “Single Nucleotide Polymorphisms in Cytochromes P450 2C9: Utility of Crystal Structures in Understanding Drug Metabolism and Pharmacogenomics”. State University of New York College of Nanoscale Science and Engineering, Albany, NY. August 28, 2017.
• “Crystal Structures of CYP2C9, CYP2C9*3 and CYP2C9*30 in Complex with Multiple Losartan Molecules Reveal a Peripheral Binding Site and Alternate Active Site Orientations”. The 21st International Symposium on Microsomes and Drug Oxidations, UC Davis, CA. October 2-6, 2016.

Publications

• Sonia Parikh, Sreeja Edara, Shruti Deodhar, Ajit Singh, Qinghai Zhang, Karen Glass, and Manish B. Shah. Structural and Biophysical Analysis of Cytochrome P450 2C9*14 and *27 Genetic Variants in Complex with Losartan. Journal of Inorganic Biochemistry. 2024. 258: 112622. (Corresponding author).

• Arthur G. Roberts, Jeffrey C. Stevens, Grazyna Sklarz, Emily E. Scott, Santosh Kumar, Manish B. Shah, and James R. Halpert. Four decades of CYP2B research: From protein adducts to protein structures and beyond. Drug Metabolism and Disposition. 2023. 51: 111-122.

• Manish B. Shah. Inhibition of CYP2C8 by Acyl Glucuronides of Gemfibrozil and Clopidogrel: Pharmacological Significance, Progress and Challenges. Biomolecules. 2022; 12 (9):1218.  (Corresponding Author)

• Sonia J. Parikh, Sumit Kamat, Margaret Phillips, Samuel P. Boyson, Thomas Yarbrough, Dylan Davie, Qinghai Zhang, Karen C. Glass, and Manish B. Shah*. Insights into the Genetic Variations of Human Cytochrome P450 2C9: Structural Analysis, Characterization and Comparison. International Journal of Molecular Sciences. September 2021. 22 (19), 10206. (Corresponding author) 

• Sonia Parikh, Chiara Evans, Juliet Obi, Qinghai Zhang, Keiko Maekawa, Karen Glass, and Manish B. Shah*. Structure of Cytochrome P450 2C9*2 in Complex with Losartan: Insights into the Effect of Genetic Polymorphism. Molecular Pharmacology. 2020. 98: 529-39 (Article figure featured on the cover) (*Corresponding author)

• Manish B. Shah, Qinghai Zhang and James R. Halpert. Crystal Structure of CYP2B6 in complex with an Efavirenz Analog. International Journal of Molecular Sciences. 2018. 19: 1025. (Corresponding author)
• Keiko Maekawa, Motoyasu Adachi, Yumiko Matsuzawa, Qinghai Zhang, Ryota Kuroki, Yoshiro Saito, Manish B. Shah*. Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9. Biochemistry. 2017. 56: 5476–5480. (*Corresponding author)
• Manish B. Shah*, Jingbao Liu, Qinghai Zhang, C. David Stout, James R. Halpert.  Halogen-π Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.  ACS Chemical Biology.  2017. 12: 1204-10.  (*Corresponding author and Co-first author)
• Manish B Shah*, Hyun-Hee Jang, P. Ross Wilderman, David Lee, Sheng Li, Qinghai Zhang, C. David Stout, and James R. Halpert. Effect of Detergent Binding on CYP2B4 Structure as Analyzed by X-ray Crystallography and Deuterium-Exchange Mass Spectrometry. Biophysical Chemistry. 2016. 216:1-8. (*Corresponding author)
• Manish B. Shah*, Jingbao Liu, Lu Huo, Qinghai Zhang, M. Denise Dearing, P. Ross Wilderman, Grazyna D. Szklarz, C. David Stout, and James R. Halpert. Structure-Function Analysis of Mammalian CYP2B Enzymes using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism. Molecular Pharmacology. 2016. 89: 435-45. (Article figure featured on the cover) (*Corresponding author and Co-first author)
• Jingbao Liu, Manish B. Shah, Qinghai Zhang, C. David Stout, James R. Halpert, and P. Ross Wilderman. Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Residue Mutations. Biochemistry. 2016. 55: 1997-07. (Co-first author)
• Manish B. Shah*, P. Ross Wilderman, Jingbao Liu, Hyun-Hee Jang, Qinghai Zhang, C. David Stout and James R. Halpert. Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison. Molecular Pharmacology. 2015. 87: 649-59. (*Corresponding author)
• Manish B. Shah*, Irina Kufareva, Jaime Pascual, Qinghai Zhang, C. David Stout, and James R. Halpert. A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States. Journal of Pharmacology and Experimental Therapeutics. 2013. 346: 113-120. (*Corresponding author)
• P. Ross Wilderman, Manish B. Shah, Hyun-Hee Jang, C. David Stout, and James Robert Halpert. Structural and Thermodynamic Basis of (+)-α-Pinene Binding to Human Cytochrome P450 2B6. Journal of the American Chemical Society. 2013. 135: 10433−40.
• Manish B. Shah, Hyun-Hee Jang, Qinghai Zhang, C. David Stout, and James R. Halpert. X-ray Crystal Structure of the Cytochrome P450 2B4 Active Site Mutant F297A in Complex with Clopidogrel: Insights into Compensatory Rearrangements of the Binding Pocket. Archives of Biochemistry and Biophysics. 2013. 530: 64-72. (Co-first author)
• Haoming Zhang, Sean C. Gay, Manish B. Shah, Maryam Foroozesh, Jiawang Liu, Yoichi Osawa, Qinghai Zhang, C. David Stout, James R. Halpert, Paul F. Hollenberg. Potent Mechanism-Based Inactivation of Cytohcrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis. Biochemistry. 2013. 52: 355-64.
• Manish B. Shah*, P. Ross Wilderman, Jaime Pascual, Qinghai Zhang, C. David Stout and James R. Halpert. Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed Upon Binding Multiple Amlodipine Molecules. Biochemistry. 2012. 51: 7225-38. (*Corresponding author)
• Jyothi C. Talakad, Manish B. Shah, Greg S. Walker, Cathie Xiang, James R. Halpert, Deepak Dalvie.  Comparison of In Vitro Metabolism of Ticlopidine by Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4. Drug Metabolism and Disposition. 2011. 39: 539-50.
• Manish B. Shah*, Jaime Pascual, Qinghai Zhang, C. David Stout and James R. Halpert.  Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl) pyridine:  Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.  Molecular Pharmacology. 2011. 80: 1047-55. (Article figure featured on the cover) (*Corresponding author)
• P. Ross Wilderman, Manish B. Shah*, Tong Liu, Sheng Li, S Hsu, Arthur G. Roberts, David R. Goodlett, Qinghai Zhang, Virgil L. Woods, Jr., C. David Stout, and James R. Halpert.  Plasticity of Cytochrome P450 2B4 as Investigated by Hydrogen-Deuterium Exchange Mass Spectrometry and X-Ray Crystallography.  Journal of Biological Chemistry. 2010. 285: 38602-11. (*Corresponding author and Co-first author)
• Sean C. Gay, Manish B. Shah, Jyothi C. Talakad, Keiko Maekawa, Arthur G. Roberts, P. Ross Wilderman, Ling Sun, Jane Y. Yang, Stephanie C. Huelga, Wen-Xu Hong, Qinghai Zhang, C. David Stout, and James R. Halpert.  Crystal Structure of a Cytochrome P450 2B6 Genetic Variant in Complex with the Inhibitor 4-(4-Chlorophenyl) imidazole at 2.0-Å Resolution. Molecular Pharmacology. 2010. 77: 529-38. (Article figure featured on the cover)
• Manish B. Shah, Cheryl Ingram-Smith, Leroy L. Cooper, Jun Qu, Yu Meng, Kerry S. Smith and Andrew M. Gulick. The 2.1 Å Crystal Structure of an Acyl-CoA Synthetase from Methanosarcina Acetivorans Reveals an Alternate Acyl-Binding Pocket for Small-Branched Acyl Substrates. Proteins. 2009. 77: 685-98.
• Eric J. Drake, Jin Cao, Jun Qu, Manish B. Shah, Robert M. Straubinger, and Andrew M. Gulick.  The 1.8 Å Crystal Structure of PA2412, an MbtH-like Protein from the Pyoverdine Cluster of Pseudomonas Aeruginosa. Journal of Biological Chemistry. 2007. 282: 20425-34.
• Gareth Hall, Manish Shah, Paul McEwan, Charles Laughton, Malcolm F.G. Stevens, Andrew Westwell, and Jonas Emsley. Structure of Mycobacterium Tuberculosis thioredoxin C. Acta Crystallogr D.  2006. 62: 1453-57.
• Manish Shah, Geoffrey Wells, Tracey D. Bradshaw, Charles A. Laughton, Malcolm F.G. Stevens and Andrew D. Westwell.  Antitubercular Properties of Substituted Hydroxycyclohexadienones. Letters in Drug Design and Discovery. 2006. 3:  419-23.
• Tracey D. Bradshaw, Charles S. Matthews, Jennifer Cookson, Eng hui Chew, Manish Shah, Kevin Bailey, Anne Monks, Erik Harris, Andrew D. Westwell, Geoffrey Wells, Charles A. Laughton and Malcolm F.G. Stevens.  Elucidation of thioredoxin as a Molecular Target for Antitumor Quinols. Cancer Research. 2005. 65: 3911-19.