Identifying the potential role of curcumin analogues as anti-breast cancer agents; an in silico approach

Allegra A(2017)Anticancer activity of curcumin and its analogues: preclinical and clinical studies Cancer Invest 35 1-22

Innao V(2020)Cannabinoid as potential aromatase inhibitor through molecular modeling and screening for anti-cancer activity Dhaka Univ J Pharm Sci 19 47-58

Russo S(2010)McCammon A (2010) Water in cavity—ligand recognition J Am Chem Soc 132 12091-12097

Gerace D(2017)Evolving importance of anticancer research using herbal medicine: a scientometric analysis Scientometrics 110 1375-1396

Alonci A(2013)Klebe G (2013) Dissecting the hydrophobic effect on the molecular level: The role of water, enthalpy, and entropy in ligand binding to thermolysin Angew Chem Int Ed Engl 52 1822-1828

Musolino C(2013)Whitesides GM (2013) water networks contribute to enthalpy/entropy compensation in protein—ligand binding J Am Chem Soc 135 15579-15584

Baroi S(2007)In vivo growth inhibitory and anti-angiogenic effects of synthetic novel dienone cyclopropoxy curcumin analogues on mouse Ehrlich ascites tumor Bioorg Med Chem 15 7696-7703

Saha A(2015)Wild edible fruit of Prunus nepalensis Ser. (Steud), a potential source of antioxidants, ameliorates iron overload-induced hepatotoxicity and liver fibrosis in mice PLoS ONE 10 e0144280-2937

Bachar R(2017)Relative binding free energy calculations in drug discovery: recent advances and practical considerations J Chem Inf Model 57 2911-1612

Bachar SC(2020)In silico strategies to support fragment-to-lead optimization in drug discovery Front Chem 8 93-30

Allegra A(2017)Anticancer activity of curcumin and its analogues: preclinical and clinical studies Cancer Invest 35 1-22

Innao V(2020)Cannabinoid as potential aromatase inhibitor through molecular modeling and screening for anti-cancer activity Dhaka Univ J Pharm Sci 19 47-58

Russo S(2010)McCammon A (2010) Water in cavity—ligand recognition J Am Chem Soc 132 12091-12097

Gerace D(2017)Evolving importance of anticancer research using herbal medicine: a scientometric analysis Scientometrics 110 1375-1396

Alonci A(2013)Klebe G (2013) Dissecting the hydrophobic effect on the molecular level: The role of water, enthalpy, and entropy in ligand binding to thermolysin Angew Chem Int Ed Engl 52 1822-1828

Musolino C(2013)Whitesides GM (2013) water networks contribute to enthalpy/entropy compensation in protein—ligand binding J Am Chem Soc 135 15579-15584

Baroi S(2007)In vivo growth inhibitory and anti-angiogenic effects of synthetic novel dienone cyclopropoxy curcumin analogues on mouse Ehrlich ascites tumor Bioorg Med Chem 15 7696-7703

Saha A(2015)Wild edible fruit of Prunus nepalensis Ser. (Steud), a potential source of antioxidants, ameliorates iron overload-induced hepatotoxicity and liver fibrosis in mice PLoS ONE 10 e0144280-2937

Bachar R(2017)Relative binding free energy calculations in drug discovery: recent advances and practical considerations J Chem Inf Model 57 2911-1612

Bachar SC(2020)In silico strategies to support fragment-to-lead optimization in drug discovery Front Chem 8 93-30