Molecular Docking and Dynamics Simulation Analysis of Thymoquinone and Thymol Compounds from Nigella sativa L. that Inhibits P38 Protein: Probable Remedies for Hepatocellular Carcinoma.

Tabassum, Heena; Ahmad, Iffat Z

Tabassum, Heena; Ahmad, Iffat Z.

Affiliation

Tabassum H; Natural Products Laboratory, Department of Bioengineering, Integral University, Dasauli, Kursi Road, Lucknow- 226026, Uttar Pradesh, India.
Ahmad IZ; Natural Products Laboratory, Department of Bioengineering, Integral University, Dasauli, Kursi Road, Lucknow- 226026, Uttar Pradesh, India.

Med Chem ; 16(3): 350-357, 2020.

Article in En | MEDLINE | ID: mdl-31038073

Subject(s)

Antineoplastic Agents/metabolism; Benzoquinones/metabolism; Thymol/metabolism; p38 Mitogen-Activated Protein Kinases/metabolism; Antineoplastic Agents/pharmacokinetics; Benzoquinones/pharmacokinetics; Catalytic Domain; Doxorubicin/metabolism; Drug Evaluation, Preclinical; Humans; Molecular Docking Simulation; Molecular Dynamics Simulation; Protein Binding; Thymol/pharmacokinetics; p38 Mitogen-Activated Protein Kinases/chemistry

Key words

Antioxidant; Nigella sativa; hepatocellular carcinoma; molecular docking; phytoconstituents; simulation.

Fulltext

Add to My VHL

XML

PubMed Links

Search on Google

Full text: 1 Database: MEDLINE Main subject: Thymol / Benzoquinones / P38 Mitogen-Activated Protein Kinases / Antineoplastic Agents Language: En Journal: Med Chem Year: 2020 Type: Article Affiliation country: India

Fulltext

Add to My VHL

XML

PubMed Links

Search on Google