مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

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Information Journal Paper

Title

COMPUTATIONAL INVESTIGATION OF GINSENOSIDE F1 FROM PANAX GINSENG MEYER AS P38 MAP KINASE INHIBITOR: MOLECULAR DOCKING AND DYNAMICS SIMULATIONS, ADMET ANALYSIS, AND DRUG LIKENESS PREDICTION

Pages

  1318-1327

Abstract

 Ginsenoside F1 (G-F1) is biologically an active compoud isolated from Korean PANAX GINSENG Meyer. In the present study, the potential therapeutic effect of G-F1 were investigated by computational target fishing approaches including ADMET prediction, biological activity prediction from chemical structure, molecular DOCKING, and molecular dynamics methods. Results were suggested to express the biological activity of G-F1 against p38 MAP kinase protein. The p38 MAP kinase protein is an important signal transducing enzyme involved in many cellular regulations, including signaling pathways, pain and inflammation. Numerous studies are shown that an abnormal activation of p38 MAP kinase leads to variety of diseases. The pharmacokinetic result proves that G- F1 can act non-toxic drug like molecule. In addition, molecular level interaction results of G- F1 with p38 MAP kinase active (binding) sites residues clearly defines its inhibitory action on p38 MAP kinase. Further, molecular dynamics study also supported p38 MAP kinase and G-F1 structural stability. Findings from out study will assist to discover the active drug like molecules from PANAX GINSENG with help of molecular modeling techniques.

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    APA: Copy

    NOH, HAE YONG, SIDDIQI, MUHAMMAD HANIF, NATATAJAN, SATHISHKUMAR, KANG, SERA, AHN, SUNGEUN, KIM, YEON JU, & YANG, DEOK CHUN. (2018). COMPUTATIONAL INVESTIGATION OF GINSENOSIDE F1 FROM PANAX GINSENG MEYER AS P38 MAP KINASE INHIBITOR: MOLECULAR DOCKING AND DYNAMICS SIMULATIONS, ADMET ANALYSIS, AND DRUG LIKENESS PREDICTION. IRANIAN JOURNAL OF PHARMACEUTICAL RESEARCH (IJPR), 17(4), 1318-1327. SID. https://sid.ir/paper/288903/en

    Vancouver: Copy

    NOH HAE YONG, SIDDIQI MUHAMMAD HANIF, NATATAJAN SATHISHKUMAR, KANG SERA, AHN SUNGEUN, KIM YEON JU, YANG DEOK CHUN. COMPUTATIONAL INVESTIGATION OF GINSENOSIDE F1 FROM PANAX GINSENG MEYER AS P38 MAP KINASE INHIBITOR: MOLECULAR DOCKING AND DYNAMICS SIMULATIONS, ADMET ANALYSIS, AND DRUG LIKENESS PREDICTION. IRANIAN JOURNAL OF PHARMACEUTICAL RESEARCH (IJPR)[Internet]. 2018;17(4):1318-1327. Available from: https://sid.ir/paper/288903/en

    IEEE: Copy

    HAE YONG NOH, MUHAMMAD HANIF SIDDIQI, SATHISHKUMAR NATATAJAN, SERA KANG, SUNGEUN AHN, YEON JU KIM, and DEOK CHUN YANG, “COMPUTATIONAL INVESTIGATION OF GINSENOSIDE F1 FROM PANAX GINSENG MEYER AS P38 MAP KINASE INHIBITOR: MOLECULAR DOCKING AND DYNAMICS SIMULATIONS, ADMET ANALYSIS, AND DRUG LIKENESS PREDICTION,” IRANIAN JOURNAL OF PHARMACEUTICAL RESEARCH (IJPR), vol. 17, no. 4, pp. 1318–1327, 2018, [Online]. Available: https://sid.ir/paper/288903/en

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