Dr. Pankaj Pandey

Pankaj Pandey picture

Pankaj Pandey

Research Scientist
National Center for Natural Products Research
ppandey@go.olemiss.edu
662-915-1853
2029 TCRC

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

  • 7/2020 – Present: Research Scientist, University of Mississippi, USA
  • 2/2016 – 6/2020: 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)
  • First Place at the MCBIOS XII (Midsouth Computational Biology & Bioinformatics Society), Postdoctoral Oral Presentation, Memphis, TN (Mar 2016)
  • MCBIOS-JMP Young Scientist Excellence Award (Postdoctoral Fellows: Honorable Mention) at the MidSouth Computational Biology and Bioinformatics Society (MCBIOS) Annual Meeting in Starkville MS, Mar 2018
  • Ronald F. Borne Outstanding Postdoctoral Poster Presentation Award at the 45th Annual MALTO Meeting, College Station TX, May 2018
  • Honor Society Memberships: Phi Kappa Phi (2012), Rho Chi (2012)

Publications

INVITED EDITORIAL

P Pandey; RJ Doerksen “New drugs from natural products around the world,” Pharmaceutical Sciences, 22, 215-216 (2016). Invited editorial. doi: 10.15171/PS.2016.34

JOURNAL ARTICLES

  1. P Pandey; B Avula; IA Khan; SI Khan; VJ Navarro; RJ Doerksen; AG Chittiboyina “Potential modulation by EGCG and its metabolites of human NAD[P]H-quinone oxidoreductase 1 (NQO1) – A systematic computational study,” accepted to Chemical Research in Toxicology (9/25/2020).
  2. AL Duddupudi; P Pandey; H Vo; CL Welsh; RJ Doerksen; GD Cuny “Hypervalent iodine mediated oxidative cyclization of acrylamide N-carbamates to 5,5-disubstituted oxazolidine-2,4-diones,” Journal of Organic Chemistry 85, 7549-7557 (2020). doi: 10.1021/acs.joc.0c00581
  3. YP Singh; GN Venkata; C Tej; A Pandey; K Priya; P Pandey; G Shankar; PK Nayak; G Rai; AG Chittiboyina; RJ Doerksen; S Vishwakarma; G Modi “Design, synthesis and biological evaluation of novel naturally-inspired multifunctional molecules for the management of Alzheimer’s Disease,” European Journal of Medicinal Chemistry 198, 112257 (2020). doi: 10.1016/j.ejmech.2020.112257
  4. P Pandey; KK Roy; RJ Doerksen “Negative allosteric modulators of cannabinoid receptor 2: Protein modeling, binding site identification and molecular dynamics simulations in the presence of an orthosteric agonist,” Journal of Biomolecular Structure and Dynamics 38, 32-47 (2020). doi: 10.1080/07391102.2019.1567384 PMID: 30652534
  5. J Liu; P Pandey; X Wang; K Adams; X Qi; J Chen; H Sun; Q Hou; D Ferreira; RJ Doerksen; MT Hamann; S Li “Hepatoprotective tetrahydrobenzocyclooctabenzofuranone lignans from Kadsura longipedunculata,” Journal of Natural Products 82, 2842-2851 (2019). doi: 10.1021/acs.jnatprod.9b00576 PMID: 31556297
  6. AW Keasling; P Pandey; RJ Doerksen; GR Pedrino; EA Costa; LC da Cunha; JK Zjawiony; JO Fajemiroye “Salvindolin elicits opioid system-mediated antinociceptive and antidepressant-like activities,” Journal of Psychopharmacology 33, 865-881 (2019). doi: 10.1177/0269881119849821 PMID: 31192780
  7. ND Chaurasiya; J Zhao; P Pandey; RJ Doerksen; I Muhammad; BL Tekwani “Selective inhibition of human monoamine oxidase B by acacetin 7-methyl ether isolated from Turnera diffusa (damiana),” Molecules 24, 810 (2019). doi: 10.3390/molecules24040810 PMID: 30813423 Special memorial issue honoring Dr. Charles F. Hufford.
  8. Y Zou; X Wang; J Sims; B Wang; P Pandey; CL Welsh; RP Stone; MA Avery; RJ Doerksen; D Ferreira; C Anklin; FA Valeriote; M Kelly; MT Hamann “Computationally-assisted discovery and assignment of a highly strained and PANC-1 selective alkaloid from Alaska’s deep ocean,” Journal of the American Chemical Society 141, 4338-4344 (2019). doi: 10.1021/jacs.8b11403 PMID: 30758203
  9. P Pandey; KK Roy; H Liu; G Ma; SA Pettaway; WF Alsharif; RS Gadepalli; JM Rimoldi; CR McCurdy; SJ Cutler; RJ Doerksen “Structure-based identification of potent natural product chemotypes as cannabinoid receptor 1 inverse agonists,” Molecules 23, 2630 (2018). Invited. Special issue on “Hit Generation and Verification for Novel Lead Compounds.” doi: 10.3390/molecules23102630
  10. LG Malak; MA Ibrahim; AM Moharram; P Pandey; B Tekwani; RJ Doerksen; D Ferreira; SA Ross “Antileishmanial Carbasugars from Geosmithia langdonii,” accepted to Journal of Natural Products (9/15/2018). doi: 10.1021/acs.jnatprod.8b00473
  11. X Wang; J Liu; P Pandey; FR Fronczek; RJ Doerksen; J Chen; X Qi; P Zhang; D Ferreira; FA Valeriote; H Sun; S Li; MT Hamann “Computationally assisted assignment of the kadsuraols, a class of chemopreventive agents for the control of liver cancer,” Organic Letters 20, 5559–5563 (2018). doi: 10.1021/acs.orglett.8b02207
  12.  P Pandey; ND Chaurasiya; BL Tekwani; RJ Doerksen “Interactions of endocannabinoid virodhamine and related eicosanoids with human monoamine oxidase-A and -B,” Biochemical Pharmacology 155, 82-91 (2018). doi: 10.1016/j.bcp.2018.06.024 PMID: 29958841Cover image Biochemical Pharmacology
  13. J Liu; P Pandey; X Wang; X Qi; J Chen; H Sun; P Zhang; Y Ding; D Ferreira; RJ Doerksen; MT Hamann; S Li “Hepatoprotective dibenzocyclooctadiene and tetrahydrobenzocyclooctabenzofuranone lignans from Kadsura longipedunculata,” Journal of Natural Products 81, 846-857 (2018). doi: 10.1021/acs.jnatprod.7b00934
  14. J Pressly; SM Mustafe; A Sahar; P Pandey; KK Roy; RJ Doerksen; BM Moore; F Park “Selective cannabinoid 2 receptor stimulation reduces tubular epithelial cell damage following renal ischemia-reperfusion injury,” Journal of Pharmacology and Experimental Therapeutics, 364, 287-299 (2018). doi: 10.1124/jpet.117.245522 PMID: 29187590 PMCID: PMC5774215.Journal of Pharmacology and Experimental Therapeutics: 364 (1)
  15. X Wang; J Liu; P Pandey; J Chen; FR Fronczek; S Parnham; X Qi; RJ Doerksen; D Ferreira; H Sun; S Li; MT Hamann “Assignment of the absolute configuration of hepatoprotective highly oxygenated triterpenoids using X-ray, ECD, NMR J-based configurational analysis and HSQC overlay experiments,” BBA (Biochimica et Biophysica Acta) General Subjects, 1861, 3089-3095 (2017). doi: 10.1016/j.bbagen.2017.09.001
  16. 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).
  17. 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 “Identification of selective cannabinoid receptor 1 inverse agonists using protein structure-based virtual screening.” Drug Discovery and Development Colloquium 2018 (DDDC 2018), Lexington, KY, Jun 21-23, 2018.
  2. AO Aderibigbe; P Pandey; RJ Doerksen “Hybrid virtual screening for peripherally-restricted cannabinoid receptor 1 (CB1) antagonists and inverse agonists.” 45th Annual MALTO Medicinal Chemistry-Pharmacognosy Meeting, College Station, TX, May 2018.
  3. AO Aderibigbe; P Pandey; RJ Doerksen “Sifting through big data: The search for peripherally-restricted CB1 receptor antagonists and inverse agonists.” MidSouth Computational Biology and Bioinformatics Society (MCBIOS) Annual Meeting in Starkville, MS, Mar 29-31, 2018. AyoOluwa won an MCBIOS-JMP Young Scientist Excellence Award (Students: 2nd Place).
  4. P Pandey; KK Roy; H Liu; RJ Doerksen “Protein structure-based virtual screening: Identification of potent natural product-chemotypes as cannabinoid receptor 1 inverse agonists.” MidSouth Computational Biology and Bioinformatics Society (MCBIOS) Annual Meeting in Starkville, MS, Mar 29-31, 2018. Pankaj won an MCBIOS-JMP Young Scientist Excellence Award (Postdoctoral Fellows: Honorable Mention).
  5. AO Aderibigbe; P Pandey; RJ Doerksen “Exploring the structural features of peripherally-restricted CB1 receptor antagonists and inverse agonists.” 255th American Chemical Society National Meeting, Division of Computers in Chemistry, New Orleans LA, Mar 2018.
  6. P Pandey; KK Roy; RJ Doerksen “Structural insights into conformation and dynamics of the cannabinoid CB2 receptor through an extended MD simulation of CP55,940–CB2 complex.” 253rd American Chemical Society National Meeting, Division of Computers in Chemistry, San Francisco CA, Apr 2017.
  7. P Pandey; KK Roy; RJ Doerksen “Exploring the allosteric inhibitory binding sites for known negative allosteric modulators within the cannabinoid CB2 receptor.” MidSouth Computational Biology and Bioinformatics Society (MCBIOS) Annual Meeting, Memphis TN, Mar 2016. Pankaj won First Place Postdoctoral Oral Presentation.
  8. 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.
  9. 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.
  10. 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.
  11. 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.
  12. 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.
  13. 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.
  14. 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. AO Aderibigbe, P Pandey, RJ Doerksen “Mechanistic insights into conformational changes that accompany the binding of negative allosteric modulators of the cannabinoid receptor 1.” Neuroscience Research Showcase, University of Mississippi, Oxford MS, April 8, 2020.
  2. AO Aderibigbe; P Pandey; RJ Doerksen “Determining the binding site of ORG27569 within the CB1 receptor.” University of Mississippi School of Pharmacy Annual Poster Session, Oxford, MS, Oct 2019.
  3. AO Aderibigbe; P Pandey; RJ Doerksen “Finding the binding pocket for ORG27569, a negative allosteric modulator of cannabinoid receptor 1.” Drug Discovery and Development Colloquium 2019 (DDDC 2019), Little Rock, AR, Jun 13-15, 2019.
  4. S Chatterjee; P Pandey; RJ Doerksen; TDH Bugg; CL Stallings; S Roy “Structure-based virtual screening approach to identify novel MraY inhibitors for tuberculosis chemotherapy.” 46th Annual MALTO Medicinal Chemistry-Pharmacognosy Meeting, Memphis, TN, May 2019.
  5. P Pandey; B Avula; IA Khan; S Khan; VJ Navarro; RJ Doerksen; AG Chittiboyina “Potential modulation by EGCG and its metabolites of human NAD[P]H-quinone oxidoreductase 1 (NQO1) – A systematic computational study.” 19th Annual Oxford International Conference on the Science of Botanicals, Oxford, MS, Apr 2019.
  6. RJ Doerksen; P Pandey; S Chatterjee; C Stallings; S Roy “Hybrid virtual screening approach for the identification of novel MraY inhibitors for tuberculosis chemotherapy.” MidSouth Computational Biology and Bioinformatics Society (MCBIOS) Annual Meeting, Birmingham, AL, Mar 2019.
  7. AO Aderibigbe; P Pandey; RJ Doerksen “Computer-aided design of peripherally-restricted antagonists of the cannabinoid CB1 receptor.” 9th University of Mississippi Graduate Student Council Research Symposium, Mar 2019.
  8. AO Aderibigbe; P Pandey; RJ Doerksen “Computer-aided design of peripherally-restricted antagonists of the cannabinoid CB1 receptor.” 5th University of Mississippi Neuroscience Research Showcase, Mar 2019.
  9. AO Aderibigbe; P Pandey; RJ Doerksen “Computational design of peripherally-restricted cannabinoid (CB1) receptor 1 blockers.” Drug Discovery and Development Colloquium 2018 (DDDC 2018), Lexington, KY, Jun 21-23, 2018.
  10. Z Ul Haq; P Pandey; RJ Doerksen “Comparison of experimental and theoretical crystal structure of CB1: A molecular dynamics perspective.” Drug Discovery and Development Colloquium 2018 (DDDC 2018), Lexington, KY, Jun 21-23, 2018.
  11. P Pandey; KK Roy; RJ Doerksen “Identification of potent natural product chemotypes as cannabinoid receptor 1 inverse agonists using protein structure-based virtual screening.” 45th Annual MALTO Medicinal Chemistry-Pharmacognosy Meeting, College Station, TX, May 2018. Pankaj won the Dr. Ronald F. Borne Memorial Postdoctoral Poster Award.
  12. Z Ul Haq; P Pandey; RJ Doerksen “Dynamics of active site residues: Comparison of experimental and theoretical crystal structure of CB1.” 45th Annual MALTO Medicinal Chemistry-Pharmacognosy Meeting, College Station, TX, May 2018.
  13. P Pandey; KK Roy; RJ Doerksen “Negative allosteric modulators of the cannabinoid receptor 2: Protein modeling, binding site identification and molecular dynamics simulations in the presence of an orthosteric agonist.” 255th American Chemical Society National Meeting, Division of Computers in Chemistry, New Orleans, LA, Mar 2018.
  14. P Pandey; AO Aderibigbe; KK Roy; RJ Doerksen “Active-state cannabinoid 1 (CB1) receptor: Protein modeling and comparison to recently published X-ray structures of the inactive-state and active-state CB1 receptors.” 255th American Chemical Society National Meeting, Division of Medicinal Chemistry, New Orleans, LA, Mar 2018.
  15. C Spencer; P Pandey; RJ Doerksen; M Godfrey. “A study of an active-state CB1 receptor model and JWH synthetic cannabinoids.” American Academy of Forensic Sciences 70th Annual Scientific Meeting, Seattle, WA, Feb 2018.
  16. P Pandey; AO Aderibigbe; KK Roy; RJ Doerksen “Homology modeling of the active-state cannabinoid 1 (CB1) receptor: Quality assessment model validation and comparison to recently published X-ray structures of the inactive-state and active-state CB1 receptors.” University of Mississippi School of Pharmacy Annual Poster Session, Oxford, MS, Oct 2017.
  17. P Pandey; ND Chaurasiya; BL Tekwani; RJ Doerksen “Mechanism of action and inhibition kinetics of the endocannabinoid virodhamine and other eicosanoids on human monoamine oxidase (MAO) -A and –B.” University of Mississippi School of Pharmacy Annual Poster Session, Oxford, MS, Oct 2017.
  18. AO Aderibigbe; P Pandey; RJ Doerksen “Structural features of peripherally acting CB1 receptor antagonists.” University of Mississippi School of Pharmacy Annual Poster Session, Oxford, MS, Oct 2017.
  19. P Pandey; KK Roy; AO Aderibigbe; RJ Doerksen “Homology modeling of the active state cannabinoid 1 (CB1) receptor: Quality assessment, model validation and comparison to recently published x-ray structures of the inactive state CB1 receptor.” 44th Annual MALTO Medicinal Chemistry-Pharmacognosy Meeting, Monroe, LA, May 2017.
  20. P Pandey; ND Chaurasiya; BL Tekwani; RJ Doerksen “Mechanism of action and inhibition kinetics of the endocannabinoid virodhamine and other eicosanoids on human monoamine oxidase (MAO) -A and -B.” 16th Annual Oxford International Conference on the Science of Botanicals, Oxford, MS, Apr 2017.
  21. C Spencer; KL Pettus; P Pandey; RJ Doerksen; M Godfrey “Study of an active-state CB1 receptor model and synthetic cannabinoid interactions.” American Academy of Forensic Sciences 69th Annual Scientific Meeting, New Orleans, LA, Feb 13-18, 2017.
  22. C Popescu; VK Shankar; P Pandey; ZG Cuny; A Vo; RJ Doerksen; SN Murthy “Indomethacin: β-Cyclodextrin complexation and characterization.” American Association of Pharmaceutical Scientists, Denver, CO, Nov 2016. Abstract No. 35W1000.
  23. C Popescu; VK Shankar; P Pandey; ZG Cuny; A Vo; RJ Doerksen; SN Murthy “Piroxicam solubility enhancement by native and modified β-cyclodextrins.” American Association of Pharmaceutical Scientists, Denver, CO, Nov 2016. Abstract No. 01T0400.
  24. VK Shankar; P Pandey; ZG Cuny; RJ Doerksen; SN Murthy “Preparation and characterization of Captisol® enabled silymarin constituents: A phase solubility and molecular modeling approach.” American Association of Pharmaceutical Scientists, Denver, CO, Nov 2016. Abstract No. 20R1130.
  25. C Popescu; VK Shankar; P Pandey; ZG Cuny; A Vo; RJ Doerksen; SN Murthy “Inclusion complex of valsartan with cyclodextrin derivatives.” American Association of Pharmaceutical Scientists, Denver, CO, Nov 2016. Abstract No. 02R1130.
  26. 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.
  27. 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.
  28. 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.
  29. 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.
  30. 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.
  31. 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.
  32. 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.
  33. 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.
  34. 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.
  35. 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.
  36. 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.
  37. 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.
  38. 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.
  39. 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.
  40. 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.
  41. 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.
  42. 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.
  43. 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.
  44. 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.
  45. 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.
  46. 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.
  47. 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.
  48. 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.
  49. 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.
  50. 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.
  51. 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.