Exploration of Novel Inhibitors for Bruton’s Tyrosine Kinase by 3D QSAR Modeling and Molecular Dynamics Simulation

Open Access

Peer-reviewed

Research Article

Rohit Bavi ,

Contributed equally to this work with: Rohit Bavi, Raj Kumar

Affiliation Division of Applied Life Science (BK21 Plus Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), 501 Jinju-daero, Jinju, 52828 Republic of Korea
⨯
Raj Kumar ,

Contributed equally to this work with: Rohit Bavi, Raj Kumar

Affiliation Division of Applied Life Science (BK21 Plus Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), 501 Jinju-daero, Jinju, 52828 Republic of Korea
⨯
Light Choi,

Affiliation Division of Applied Life Science (BK21 Plus Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), 501 Jinju-daero, Jinju, 52828 Republic of Korea
⨯
Keun Woo Lee

* E-mail: kwlee@gnu.ac.kr

Affiliation Division of Applied Life Science (BK21 Plus Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), 501 Jinju-daero, Jinju, 52828 Republic of Korea
⨯

Reader Comments (0)

Hydrogen bonding
Is the Subject Area "Hydrogen bonding" applicable to this article?

Thanks for your feedback.
Drug interactions
Is the Subject Area "Drug interactions" applicable to this article?

Thanks for your feedback.
B cells
Is the Subject Area "B cells" applicable to this article?

Thanks for your feedback.
Biochemical simulations
Is the Subject Area "Biochemical simulations" applicable to this article?

Thanks for your feedback.
Drug screening
Is the Subject Area "Drug screening" applicable to this article?

Thanks for your feedback.
Molecular dynamics
Is the Subject Area "Molecular dynamics" applicable to this article?

Thanks for your feedback.
Free energy
Is the Subject Area "Free energy" applicable to this article?

Thanks for your feedback.
Molecular docking
Is the Subject Area "Molecular docking" applicable to this article?

Thanks for your feedback.