title: Evaluating anti-oxidant potential of ganoderic acid A in STAT 3 pathway in prostate cancer.
abstract: Evaluating anti-oxidant potential of Ganoderic acid A in STAT 3 pathway in Prostate cancer. Molecular docking and ADMET activities of different isoforms of ganoderic acid on STAT 3 pathway were performed by Maestro 9.6 (Schrödinger Inc). The ganoderic acid A is best-docked among isoforms which analyses the expression level of antioxidant and STAT 3 pathway in PC-3 cells. The receptor-based molecular docking reveals the best binding interaction of SH2 domain of STAT3 and ganoderic acid A with GScore (-6.134), kcal/mol, Lipophilic EvdW (-1.83), Electro (-1.1), Glide emodel (-31.857), H bond (1.98), MM-GBSA (-69.555). The molecular docking QikProp analyzed the absorption, distribution, metabolism, excretion, and toxicity (ADME/T). The ganoderic acid A is best-docked among isoforms which downregulates the expression of STAT 3 in PC-3 cells. Moreover, ganoderic acid A inhibits proliferation, viability, ROS, DPPH, and analyzed the expression of SOD1, SOD2, and SOD3 by Real time PCR in a PC-3 cell in a dose-dependent manner. Molecular docking revealed the mechanistic binding of Ganoderic acid A in STAT3 signaling, which inhibits the proliferation, viability, and ROS in PC-3 cells.
authors.affiliation: Centre for Biosciences, Central University of Punjab, Bathinda, India.
authors.forename: Balraj Singh
authors.initials: BS
authors.lastname: Gill
authors.affiliation: Centre for Biosciences, Central University of Punjab, Bathinda, India.
authors.forename: Sanjeev
authors.initials: S
authors.lastname: Kumar
authors.affiliation: Department of Biotechnology, Doaba college, Jalandhar, Punjab, India. geet20capricorn@gmail.com.
authors.lastname: Navgeet
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry* / Q000494:pharmacology; D001665:Binding Sites; D045744:Cell Line, Tumor; D049109:Cell Proliferation; D004354:Drug Screening Assays, Antitumor; D016166:Free Radical Scavengers / Q000737:chemistry*; D015870:Gene Expression / Q000187:drug effects; D006538:Heptanoic Acids / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D006860:Hydrogen Bonding; D007810:Lanosterol / Q000031:analogs & derivatives* / Q000737:chemistry / Q000494:pharmacology; D008297:Male; D062105:Molecular Docking Simulation; D058990:Molecular Targeted Therapy; D011471:Prostatic Neoplasms / Q000188:drug therapy*; D011485:Protein Binding; D050796:STAT3 Transcription Factor / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D000970:Antineoplastic Agents; D016166:Free Radical Scavengers; D006538:Heptanoic Acids; D050796:STAT3 Transcription Factor; C494086:STAT3 protein, human; D007810:Lanosterol; C515005:ganoderic acid A
keywords: Antioxidant; Cancer; Ganoderic acid; Molecular docking; STAT3