Pharmacophore-Based Virtual Screening and Experimental Validation of Pyrazolone-Derived Inhibitors toward Janus Kinases

Author:

Sanachai Kamonpan1,Mahalapbutr Panupong2ORCID,Hengphasatporn Kowit3ORCID,Shigeta Yasuteru3ORCID,Seetaha Supaphorn4,Tabtimmai Lueacha5,Langer Thierry6ORCID,Wolschann Peter7,Kittikool Tanakorn8,Yotphan Sirilata8,Choowongkomon Kiattawee4,Rungrotmongkol Thanyada19ORCID

Affiliation:

1. Center of Excellence in Structural and Computational Biology Research Unit, Department of Biochemistry, Faculty of Science, Chulalongkorn University, Bangkok10330, Thailand

2. Department of Biochemistry, Faculty of Medicine, Khon Kaen University, Khon Kaen40002, Thailand

3. Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba305-8577, Ibaraki, Japan

4. Department of Biochemistry, Faculty of Science, Kasetsart University, Bangkok10900, Thailand

5. Department of Biotechnology, Faculty of Applied Science, King Mongkut’s University of Technology North Bangkok, Bangkok10800, Thailand

6. Department of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna, Althanstraße 14, ViennaA-1090, Austria

7. Institute of Theoretical Chemistry, University of Vienna, Vienna1090, Austria

8. Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Mahidol University, Rama VI Road, Bangkok10400, Thailand

9. Program in Bioinformatics and Computational Biology, Graduate School, Chulalongkorn University, Bangkok10330, Thailand

Funder

Khon Kaen University

National Research Council of Thailand

Chulalongkorn University

National Science, Research and Innovation Fund

Kasetsart University Research and Development Institutes

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

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