Document Type : Research Article
Authors
1 Department of Chemistry, Bajaj College of Science College, Wardha 442001, Maharashtra, India
2 Department of Applied Chemistry, Priyadarshini Bhagwati College of Engineering, Nagpur 440009, Maharashtra, India
3 Department of Pharmaceutical Chemistry, Dadasaheb Balpande College of Pharmacy, Nagpur 440037, Maharashtra, India
Abstract
The present investigative studies involve molecular docking study of substituted thiophene-based chalcone compounds (A1-A9) against anti-cancer therapeutic target cyclin-dependent protein kinase-2 (Cdk-2) (PDB ID: 1HCL) for identifying and developing potential inhibitors. Few imperative physicochemical properties such as stretching, bending, stretching-bending, torsion, Non-1,4 VDW, 1,4 VDW, total steric energy for frame, and total energy of the best inhibitors have also been determined.
Graphical Abstract
)
Keywords
2017,17,3146.
2. Mahapatra,D.K.;Bharti,S.K.;Asati,V.; Eur J.Med Chem.,2015,
98,69.
3. Mahapatra,D.K.;Bharti,S.K.;Asati,V.; Eur J.Med Chem. 2015,
101,496.
4. Mahapatra,D.K., Asati,V., Bharti,S.K.; Eur J.Med Chem.,2015,
92,839.
5. Mahapatra,D.K.;Bharti,S.K.;Life Sci.,2016, 148,154.
6. Mahapatra,D.K.;Bharti,S.K.;Asati,V.;Singh,S.K.; Eur J.Med
Chem.,2019, 174,142.
7. Mahapatra,D.K.;Asati,V.;Bharti,S.K.;ExpOpinTherapeut Pat.
2019, 29,385.
8. Mahapatra,D.K.;Asati,V.;Bharti,S.K.; J.Crit Rev.,2019, 6,1.
9. Mahapatra, D.K.;Shivhare,R.S.;Kumar, P.;Asian J.Pharm Res.
2018, 8,6.
10. Mahapatra,D.K., Shivhare, R.S.;Bharti, S.K.;Res Pharm.,2017,
1,1.
11. Mahapatra,D.K.;Chhajed, S.S.;Shivhare, R.S.;Int.J.Pharm
Chem Anal., 2017, 4,30.
12.Mahapatra,D.K.;Shivhare, R.S.;J.Mod ChemChem Technol.,
2018, 9, 12.
13. Mahapatra, D.K.;Shivhare, R.S.;Asati, V.;Chron Pharm Sci.,
2018, 2,462.
14. Mahapatra,D.K.;Shivhare, R.S.;Dadure,K.M.;Acta Scientific
Pharm Sci.,2018, 2, 40.
15. Asati,V.;Bajaj,S.;Mahapatra, D.K.;Bharti,S.K.;Med Chem Res.
2016, 25,94.
16. Asati,V.;Bharti, S.K.;Rathore,A.;Mahapatra,D.K.; Indian J.
Pharm Edu Res.,2017, 51,436.
17. Chhajed, S.S.;Chaskar,S.;Kshirsagar, S.K.;Haldar,AGM;
Mahapatra, D.K.;Comp Biol Chem.,2017, 67,260
)