Dr. Pankaj Pandey

Pankaj Pandey picture

Pankaj Pandey

Postdoctoral Fellow
ppandey@go.olemiss.edu
662-915-1853

Pankaj’s research involves an understanding of the basic mechanism of protein-ligand interactions, the importance of conformational changes and the identification of new drug-like hits using state-of-the-art physics-based computational tools. He is working on various projects focused on protein-protein interaction; cyclodextrin-ligand inclusion complexes; G-protein coupled receptor (GPCR) modeling and simulations; protein structure-based virtual screening; and identification and characterization of allosteric sites of known cannabinoid receptor 2 (CB2) allosteric modulators and their potential modes of interaction with the CB2 receptor.

Education

  • The University of Mississippi, MS, USA [8/2010-12/2015]
    • Ph.D. in Pharmaceutical Sciences, with emphasis in Medicinal Chemistry
    • Dissertation Title: Protein-Ligand Interaction Studies and Identification of New Drug-Like Hits as Cannabinoid Receptor Modulators
  • Shri G.S Institute of Technology & Science, Indore, India (Affiliated to Rajiv Gandhi Technological University, Bhopal, India) [Aug. 2005 to July 2007]
    • Master of Pharmacy (M. Pharm) in Medicinal and Pharmaceutical Chemistry
    • Thesis Title: Design, Synthesis and Characterization of Fluoxetine Analogs as Selective Serotonin Reuptake Inhibitors (SSRIs)

Employment

  • 2/2016 – Present Postdoctoral Fellow University of Mississippi, USA
  • 10/2010 – 12/2015 Research Assistant University of Mississippi, USA
  • 10/2008 – 07/2010 Lecturer SVCP, Indore, India
  • 10/2007 – 10/2008 Research Associate Jubilant Chemsys, Noida, India
  • 08/2006 – 04/2007 Project Trainee C.D.R.I, Lucknow, India

Awards

  • Travel award to attend NSF-sponsored workshop on “Multiscale Theory and Simulation”, Chicago, IL, June 2012
  • Who’s Who for The University of Mississippi 2013-2014
  • 2013 Nobles-Sam Graduate Research Award from the Department of Medicinal Chemistry, University of Mississippi, bestowed on the student with the best podium presentation at the annual MALTO meeting (May 2013)
  • NIH Predoctoral Fellow 2013 “Structural insights into CB2 agonist/antagonist-induced conformation changes on CB2 receptor” sponsored by the Center of Research Excellence in Natural Products Neuroscience (CORE-NPN), University of Mississippi (October 2013)
  • Best Graduate Student Central Nervous System Oral Presentation at the 2013 Southeast Regional IDeA Meeting, Little Rock, AR (Nov. 2013)
  • UM Graduate Student Achievement Award (1 of only 2 for University of Mississippi, School of Pharmacy) (2014-2015)
  • $1,150 Chemical Computing Group Research Excellence Award in Medicinal Chemistry Student Travel Award Stipend for the 2015 Spring American Chemical Society National Meeting (Mar 2015)
  • 2014/2015 ACS Graduate Research Award from The Olemiss Local Section and The Department of Chemistry and Biochemistry (Apr 2015)
  • 2nd place in the Applied Neuroscience poster section of the First Neuroscience Research Showcase, The University of Mississippi (Apr 2015)
  • 2015 Nobles-Sam Graduate Research Award from the Department of Medicinal Chemistry, University of Mississippi, bestowed on the student with the best podium presentation at the annual MALTO meeting (May 2015).
  • University of Mississippi Dissertation Fellowship (Fall 2015)
  • Honor Society Memberships: Phi Kappa Phi (2012), Rho Chi (2012)

Publications

  • Mohammed, N. N; Pandey, P; Liu, H; Elokely, K. M.; Doerksen, R. J; Repka, A. M; “Clotrimazole-Cyclodextrin Based Approach for the Management and Treatment of Candidiasis- A Formulation and Chemistry Based Evaluation” Dev. Technol. 2015, April 29, (doi:10.3109/10837450.2015.1041041).
  • Maheshwari, R. K; Prasad, S; Pandey, P; Wanare, G; “Novel Spectrophotometric Analysis of Piroxicam Tablets Using Ibuprofen Sodium as Hydrotropic Solubilizing Agents”. J. Pharm. Sci. Drug Res. 2010, 2, 3210-3212.

Conference Oral Presentations from Doerksen Research Group

  1. P Pandey; KK Roy; RJ Doerksen “Cannabis-derived compounds as cannabinoid receptor modulators: Systematic analysis using molecular docking and binding free-energy studies.” 25th Annual International Cannabinoid Research Society Symposium on the Cannabinoids, Wolfville, NS, Canada, Jun 29-Jul 2, 2015.
  2. P Pandey; KK Roy; RJ Doerksen “Identification and characterization of allosteric site(s) for CB2 negative allosteric modulators (NAMS).” 42nd Annual MALTO Medicinal Chemistry-Pharmacognosy Meeting, Oxford, MS, May 17, 2015.
  3. KK Roy; RJ Doerksen “Investigation of protein targets for antimalarial compounds/drugs with unknown mechanism of action (MOA): Computational approaches.” 3rd University of Mississippi Malaria Symposium. Oxford, MS, Apr 2015.
  4. P Pandey; KK Roy; RJ Doerksen “Identification and characterization of allosteric site(s) for dihydrogambogic acid (DHGA) and trans-β-caryophyllene (TBC) as cannabinoid CB2 allosteric modulators.” 249th American Chemical Society National Meeting, Division of Computers in Chemistry, Denver, CO, Mar 22-26, 2015.
  5. P Pandey; KK Roy; H Liu; KM Elokely; S Pettaway; SJ Cutler; RJ Doerksen “Identification of cannabinoid CB1 ligands through structure-based virtual screening.” 41st Annual MALTO Medicinal Chemistry-Pharmacognosy Meeting, Memphis, TN, May 18, 2014.
  6. P Pandey; KK Roy; RY Patel; RJ Doerksen “Utilizing the ensemble docking method for ranking and selection of representative cannabinoid receptor type 2 (CB2) models.” 2013 Southeast Regional NIH IDeA Meeting, Little Rock, AR, Nov 2013. P Pandey won Best Graduate Student Central Nervous System Oral Presentation award.
  7. KM Elokely; P Pandey, MB Jekabsons; RJ Doerksen “Computational modeling: Structural insights into Bax binding to the voltage dependent anion channel 1 (VDAC1).” 40th Annual MALTO Medicinal Chemistry-Pharmacognosy Meeting, Little Rock, AR, May 2013. P. Pandey won the Nobles-Sam Award for best oral presentation by a University of Mississippi Department of Medicinal Chemistry student.

Conference Poster Presentations from Doerksen Research Group

  1. KK Roy; P Pandey; RJ Doerksen “Cannabinoid receptor modeling and molecular dynamics simulations.” University of Mississippi School of Pharmacy Annual Poster Session, Oxford, MS, Oct 2, 2015.
  2. P Pandey; KK Roy; RJ Doerksen “Search of potential allosteric site(s) in the cannabinoid CB2 receptor for the discovery of novel CB2 allosteric modulators.” University of Mississippi School of Pharmacy Annual Poster Session, Oxford, MS, Oct 2, 2015.
  3. RJ Doerksen, KK Roy, MA Nael, P Pandey “Computational medicinal chemistry capabilities and accomplishments.” University of Mississippi School of Pharmacy Annual Poster Session, Oxford, MS, Oct 2, 2015.
  4. V Gadepalli; P Pandey; KK Roy; SA Ross; I Muhammad; RJ Doerksen “Docking studies on leonotis leonurus and leonurus cardiac derived compounds for their potential activity at CB1 and CB2.” University of Mississippi Medical Center Annual Neuroscience Research Day, May 2015.
  5. KK Roy; P Pandey; RJ Doerksen “Utilizing multiple GPCR templates for modeling of cannabinoid CB1 and CB2 receptors in their active states.” University of Mississippi Medical Center Annual Neuroscience Research Day, May 2015.
  6. P Pandey; KK Roy; H Liu; KM Elokely; S Pettaway; SJ Cutler; RJ Doerksen “Protein structure-based virtual screening: Identification of natural product-derived hits as cannabinoid receptor 1 modulators.” 1st University of Mississippi Neuroscience Research Showcase, Apr 2015. Pankaj won 2nd prize in the general science category.
  7. P Pandey; KK Roy; RJ Doerksen “Protein structure-based virtual screening led to identification of novel natural product-derived hits as cannabinoid receptor 1 modulators.” 249th American Chemical Society National Meeting, Division of Computers in Chemistry, Denver, CO, Mar 2015. Pankaj Pandey won a $1,150 Chemical Computing Group Research Excellence Award in Medicinal Chemistry and a copy of CCG’s MOE (Molecular Operating Environment) software with a one-year license.
  8. KK Roy; P Pandey; RJ Doerksen “Structural insights into the mechanism of activation of the human cannabinoid type 2 (CB2) receptor: Molecular dynamics study of an agonist-bound state.” 249th American Chemical Society National Meeting, Division of Computers in Chemistry, Denver, CO, Mar 2015.
  9. P Pandey; KK Roy; RJ Doerksen “Identification and characterization of allosteric site(s) for known CB2 allosteric modulators.” University of Mississippi School of Pharmacy Research Day, Nov 2014.
  10. P Pandey; KK Roy; H Liu; KM Elokely; S Pettaway; SJ Cutler; RJ Doerksen “Novel natural product-derived hits as cannabinoid receptor modulators identified through protein structure-based virtual screening.” University of Mississippi School of Pharmacy Research Day, Nov 2014.
  11. P Pandey; KK Roy; H Liu; KM Elokely; S Pettaway; SJ Cutler; RJ Doerksen “Search for cannabinoid receptor 1 antagonists using structure-based virtual screening: identification of natural product hits.” American Society of Pharmacognosy 2014 Annual Meeting, Oxford, MS, Aug 2014.
  12. KK Roy; P Pandey; RJ Doerksen “Computational modeling and simulation of the human cannabinoid CB2 receptor.” NIH, NIGMS Fifth Biennial National IDeA Symposium of Biomedical Research Excellence (NISBRE), Washington, DC, Jun 2014.
  13. V Gadepalli; P Pandey; KK Roy; SA Ross; I Muhammad; RJ Doerksen “Docking studies on Leonotis leonurus and Leonurus cardiaca derived compounds for their potential activity at CB1 and CB2.” 41st Annual MALTO Medicinal Chemistry-Pharmacognosy Meeting, Memphis, TN, May 2014.
  14. RJ Doerksen; AW Boler; KM Elokely; V Gadepalli; H Liu; HM Matalgah; MC Ott; P Pandey; RY Patel; KK Roy; M Yadav “Cannabinoid receptor 1 models for protein structure based drug design of antagonists.” 2013 Southeast Regional NIH IDeA Meeting, Little Rock, AR, Nov 2013.
  15. V Gadepalli; P Pandey; KK Roy; I Muhammad; RJ Doerksen “Docking studies on Leonotis leonurus and Leonuris cardiaca derived compounds for their potential activity at human cannabinoid receptor type 1 (CB1).” 2013 Southeast Regional NIH IDeA Meeting, Little Rock, AR, Nov 2013.
  16. KK Roy; P Pandey; RJ Doerksen “Uncovering the characteristic features of active state three-dimensional (3D) structure of the human cannabinoid type 2 receptor.” 2013 Southeast Regional NIH IDeA Meeting, Little Rock, AR, Nov 2013.
  17. P Pandey; NN Mohammed; Z Rahman; MA Repka; RJ Doerksen “Modeling studies on inclusion complex of clotrimazole in 2-hydroxypropyl [beta] cyclodextrin.” 2013 American Association of Pharmaceutical Scientists Annual Meeting and Exposition, San Antonio, TX, Nov 2013.
  18. V Gadepalli; P Pandey; KK Roy; I Muhammad; RJ Doerksen “Docking studies on Leonotis leonurus and Leonuris cardiaca derived compounds for their potential activity at CB1.” 17th Annual University of Mississippi School of Pharmacy National Center for Natural Products Research Poster Day, Nov 2013.
  19. V Gadepalli; P Pandey; KK Roy; I Muhammad; RJ Doerksen “Docking studies on Leonotis leonurus and Leonuris cardiaca derived compounds for their potential activity at CB1.” University of Mississippi School of Pharmacy Rho Chi Poster Day, Oct 2013. Veena Gadepalli won First Place.
  20. P Pandey; KK Roy; RY Patel; RJ Doerksen “Ensemble docking approach toward the identification of representative cannabinoid 2 (CB2) receptor conformations for structure-based virtual screening.” Gordon Research Conference: “Cannabinoid Function in the CNS: Cannabinoids in Synapses, Circuits and the Human Brain.” Waterville Valley, NH, Aug 2013.
  21. P Pandey; KK Roy; RY Patel; RJ Doerksen “Ensemble docking approach toward the identification of representative cannabinoid 2 (CB2) receptor conformations for structure-based virtual screening.” Gordon Research Seminar: “Cannabinoid Function in the CNS: Endocannabinoids in Neurophysiology and Neuropathology.” Waterville Valley, NH, Aug 2013.
  22. KM Elokely; P Pandey; MB Jekabsons; RJ Doerksen “Insights into interactions of voltage dependent anion channel 1 (VDAC1) and Bax.” Mississippi NSF EPSCoR Annual Meeting, Hattiesburg, MS, Apr 2013.
  23. KM Elokely; P Pandey; MB Jekabsons; RJ Doerksen “Insights into interactions of voltage dependent anion channel 1 (VDAC1) and Bax.” SOP/NCNPR Annual Research Day, University of Mississippi, MS, Nov 2012.
  24. P Pandey; K Elokely; MB Jekabsons; RJ Doerksen “Prediction of binding modes for the interaction of voltage dependent anion channel 1 (VDAC1) and Bax.” 39th Annual MALTO Medicinal Chemistry-Pharmacognosy Meeting, Monroe, LA, May 2012.
  25. P Pandey; K Elokely; MB Jekabsons; RJ Doerksen “Insights into interactions of voltage dependent anion channel 1 (VDAC1) and Bax.” University of Mississippi Graduate Student Council Poster Competition, Oxford, MS, Apr 2012.
  26. P Pandey; K Elokely; MB Jekabsons; RJ Doerksen “Insights into interactions of voltage dependent anion channel 1 (VDAC1) and Bax.” Mississippi NSF EPSCoR Annual Meeting, Oxford, MS, Apr 2012.