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3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Dynamics Simulations for the Identification of Spleen Tyrosine Kinase Inhibitors.
Kumar, Vikas; Parate, Shraddha; Zeb, Amir; Singh, Pooja; Lee, Gihwan; Jung, Tae Sung; Lee, Keun Woo; Ha, Min Woo.
Affiliation
  • Kumar V; Department of Bio & Medical Big Data (BK4 Program), Division of Life Sciences, Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), Jinju, South Korea.
  • Parate S; Division of Applied Life Science, Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Gyeongsang National University (GNU), Jinju, South Korea.
  • Danishuddin; Department of Bio & Medical Big Data (BK4 Program), Division of Life Sciences, Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), Jinju, South Korea.
  • Zeb A; The Interdisciplinary Graduate Program in Integrative Biotechnology and Translational Medicine, Yonsei University, Incheon, South Korea.
  • Singh P; Division of Applied Life Science, Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Gyeongsang National University (GNU), Jinju, South Korea.
  • Lee G; Division of Applied Life Science, Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Gyeongsang National University (GNU), Jinju, South Korea.
  • Jung TS; Laboratory of Aquatic Animal Diseases, Research Institute of Natural Science, College of Veterinary Medicine, Gyeongsang National University, Jinju-si, South Korea.
  • Lee KW; Department of Bio & Medical Big Data (BK4 Program), Division of Life Sciences, Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), Jinju, South Korea.
  • Ha MW; Jeju Research Institute of Pharmaceutical Sciences, College of Pharmacy, Jeju National University, Jeju, South Korea.
Front Cell Infect Microbiol ; 12: 909111, 2022.
Article de En | MEDLINE | ID: mdl-35846777
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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Sujet principal: Relation quantitative structure-activité / Simulation de dynamique moléculaire Type d'étude: Diagnostic_studies / Prognostic_studies / Screening_studies Langue: En Journal: Front Cell Infect Microbiol Année: 2022 Type de document: Article Pays d'affiliation: Corée du Sud Pays de publication: Suisse
Texte intégral
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XML
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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Sujet principal: Relation quantitative structure-activité / Simulation de dynamique moléculaire Type d'étude: Diagnostic_studies / Prognostic_studies / Screening_studies Langue: En Journal: Front Cell Infect Microbiol Année: 2022 Type de document: Article Pays d'affiliation: Corée du Sud Pays de publication: Suisse