{"id":103,"date":"2018-09-05T20:07:40","date_gmt":"2018-09-05T20:07:40","guid":{"rendered":"http:\/\/khashanlab.org\/?page_id=103"},"modified":"2022-09-20T09:57:38","modified_gmt":"2022-09-20T13:57:38","slug":"about-the-pi","status":"publish","type":"page","link":"http:\/\/khashanlab.org\/about-the-pi\/","title":{"rendered":"About the PI"},"content":{"rendered":"

\"\"<\/h2>\n

PI: Ra’ed S. A. Khashan, PhD, RPh<\/span><\/h2>\n

Education<\/span><\/strong><\/h3>\n

Ph.D., Pharmaceutical Sciences (Medicinal Chemistry)<\/strong>.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a08\/2003 \u2013 8\/2007
\n<\/strong>University of North Carolina at Chapel Hill – Division of Medicinal Chemistry – School of Pharmacy.<\/u> Dissertation<\/u><\/em>: \u201cDevelopment & Application of Ligand\/Structure-based Computational Drug Discovery Tools Based on Frequent Subgraph Mining of Chemical Structures\u201d.
\nAdvisor<\/u><\/em>: Prof. Alexander Tropsha. Director, Laboratory for Molecular Modeling.<\/p>\n

M.S., Pharmaceutical Sciences (Physical Pharmacy)<\/strong>.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0\u00a08\/2000 \u2013 8\/2003
\n<\/strong>University of Texas at Austin – Division of Pharmaceutics – College of Pharmacy.
\n<\/u><\/em>Thesis<\/u><\/em>: \u201cRefinement and Validation of BCUT Descriptors for Computer Assisted Drug Discovery\u201d.
\nAdvisor<\/u><\/em>: Prof. Robert S. Pearlman. Director, Laboratory for Development of Computer Aided Drug Discovery Software.<\/p>\n

Bachelor of Pharmacy<\/strong>, <\/strong>on \u2018Honor List\u2019<\/strong><\/em>.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a08\/1994 \u2013 1\/1999
\n<\/strong>Jordan University of Science & Technology (JUST) \u2013 Faculty of Pharmacy, Irbid, JORDAN.<\/u><\/em>
\n<\/strong><\/p>\n

B.S., Computer Science <\/strong>(Minor in Chemistry<\/strong>), <\/strong>on \u2018Honor List\u2019<\/strong><\/em>.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a08\/1997 \u2013 8\/2000
\n<\/strong>Yarmouk University \u2013 Faculty of Science, Irbid, JORDAN<\/u><\/em>.
\n<\/strong><\/p>\n

Professional Experience<\/span><\/strong><\/h3>\n

Associate Professor, Long Island University – Brooklyn.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a08\/2022 \u2013 Present<\/strong><\/p>\n

    \n
  • Molecular and Structural Mechanism of DNA Targeting by a Transposon-encoded Type I-F CRISPR\/Cas System.<\/li>\n
  • Implications of Molecular and Structural Mechanism of Insulin Receptor on Receptor Activation and Drug Design.<\/li>\n
  • Using AI Strategies to Support Fragment-based De Novo Drug Design (FragDeNovo) using Pocket Similarity Search of Native Protein-Ligand Complexes.<\/li>\n<\/ul>\n

    Assistant\/Associate Professor, USciences – Philadelphia.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a01\/2018 \u2013 8\/2022<\/strong><\/p>\n

      \n
    • Molecular and Structural Mechanism of DNA Targeting by a Transposon-encoded Type I-F CRISPR\/Cas System.<\/li>\n
    • Implications of Molecular and Structural Mechanism of Insulin Receptor on Receptor Activation and Drug Design.<\/li>\n
    • Applying data mining and machine learning tools to develop an ANN-based multi-body interaction docking scoring function (MBI-score) based on utilizing frequent geometric and chemical patterns of interfacial atoms in native protein-ligand complexes.<\/li>\n<\/ul>\n

      Assistant Professor (Founding Faculty), UT – Tyler.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a010\/2014 \u2013 12\/2017<\/strong><\/p>\n

        \n
      • Develop (SCORPIONS), a method for scoring computationally generated protein folds using frequent geometric motifs of internal residues found in native proteins.<\/li>\n
      • Develop a way to classify protein families\/functions (based on Gene Ontology Consortium Method) using frequent geometric patterns interactions at the surface of proteins\u2019 tertiary.<\/li>\n<\/ul>\n

        Visiting Scholar, University of North Carolina – Chapel Hill.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Summer 2016<\/strong>
        \nPI<\/u><\/em>: <\/strong>Max Berkowitz<\/p>\n

          \n
        • Understanding the mechanism of how the C1 domain of CalDAG-GEFI activates the platelet-activating protein, Rap1b using Large Scale MD.<\/li>\n<\/ul>\n

          Research Fellow, CCIB, Rutgers University – Camden.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a07\/2014 \u2013 10\/2014<\/strong>
          \nPI<\/u><\/em>: <\/strong>Grace Brannigan.<\/p>\n

            \n
          • Estimating Binding Affinities of GABA<\/em>a Neuromodulators: Using Free Energy Methods with Large Scale MD Simulations.<\/li>\n<\/ul>\n

            Assistant Professor, King Faisal University, KSA.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a05\/2012 \u2013 6\/2014<\/strong><\/p>\n

              \n
            • Perform pocket similarity search (using graph representation of protein-ligand interfacial atoms) to generate a virtual library of fragments (FragVLib), and apply virtual screening (FragVScreen) to identify lead molecules.<\/li>\n
            • Identify Structure-Based Bioisosteres (Chem<\/em>Isosteres) by mining a graph representation of protein-ligand interfacial atoms to be used for drug design and lead molecules.<\/li>\n
            • Collaborate with Dr. Ingo Muegge (at BI Pharma) to advance his famous PMF score to account for multi-body interactions.<\/li>\n<\/ul>\n

              Research Fellow, BRITE, North Carolina Central University.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a01\/2008 \u2013 11\/2011<\/strong>
              \nAdvisor<\/u><\/em>: <\/strong>Weifan Zheng.<\/p>\n

                \n
              • Developed a novel multi-body interaction (MBI) statistical pose-scoring function for docked protein-ligand complexes using frequent geometric and chemical patterns of interfacial atoms in native protein-ligand complexes.<\/li>\n
              • Developed \u2018SPIDER\u2019, which applies Subgraph Mining technique to derive interaction patterns at protein-protein interfaces & use them to score-rank computationally generated decoys to identify nearest-native poses.<\/li>\n<\/ul>\n

                Research Assistant, University of North Carolina – Chapel Hill.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a08\/2003 \u2013 8\/2007<\/strong>
                \nAdvisor<\/u><\/em>: Alexander Tropsha.<\/p>\n

                  \n
                • Development of docking protocols and scoring functions using frequent geometric and chemical patterns of inter-atomic interactions at the interface of protein-ligand complexes.<\/li>\n
                • Generated QSAR\/QSPR fragment-based chemical descriptors using frequent sub-graph mining, and evaluated them using QSAR modeling techniques such as k-nearest neighbor (kNN), and support vector machine (SVM).<\/li>\n
                • Designed topological (2D) Pharmacophore models using frequent sub-structure mining, and evaluated them using a classification-based association (CBA) technique.<\/li>\n<\/ul>\n

                  Research Assistant Internship, Inspire Pharmaceuticals Inc., <\/em>Durham, NC.\u00a0 \u00a0 Fall 2003<\/strong><\/strong>
                  \nSupervisor<\/u><\/em>: Robert Plourde.<\/p>\n

                    \n
                  • Development of validated QSAR models of P2Y12 receptor antagonists and their application to database mining.<\/li>\n<\/ul>\n

                    Research Assistant, UT-Austin.\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a08\/2000 \u2013 8\/2003<\/strong>
                    \nAdvisor<\/u><\/em>: Robert Pearlman.<\/p>\n

                      \n
                    • Refined and validated molecular descriptors (BCUT) to aid in diversity analysis for designing chemical libraries.<\/li>\n
                    • Improved a program (GSSI) that calculates the free energy of desolvation by adding a hydrogen-bond component.<\/li>\n
                    • Developed ProtoPlex: User-control over tautomeric & protonation states of molecules.<\/li>\n
                    • Designed the graphical user interface for StereoPlex, which is a stereoisomer generator machine.<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"

                      PI: Ra’ed S. A. Khashan, PhD, RPh Education Ph.D., Pharmaceutical Sciences (Medicinal Chemistry).\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a08\/2003 \u2013 8\/2007 University of North Carolina at Chapel Hill – Division of […]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"_links":{"self":[{"href":"http:\/\/khashanlab.org\/wp-json\/wp\/v2\/pages\/103"}],"collection":[{"href":"http:\/\/khashanlab.org\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"http:\/\/khashanlab.org\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"http:\/\/khashanlab.org\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/khashanlab.org\/wp-json\/wp\/v2\/comments?post=103"}],"version-history":[{"count":77,"href":"http:\/\/khashanlab.org\/wp-json\/wp\/v2\/pages\/103\/revisions"}],"predecessor-version":[{"id":365,"href":"http:\/\/khashanlab.org\/wp-json\/wp\/v2\/pages\/103\/revisions\/365"}],"wp:attachment":[{"href":"http:\/\/khashanlab.org\/wp-json\/wp\/v2\/media?parent=103"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}