Synthesis and 3D-QSAR study of 1,4-dihydropyridine derivatives as MDR cancer reverters.
A series of symmetrical and unsymmetrical 1,4-dihydropyridines were synthesized by a rapid, single pot microwave irradiation (MWI) based protocol along with conventional approach and characterized by NMR, IR and mass spectroscopic techniques. The compounds were evaluated for their tumor cell cytotoxicity in HL-60 tumor cells. A 3D-QSAR study using CoMFA and CoMSIA was carried out to decipher the factors governing MDR reversing ability in cancer. The resulting contour maps derived by the best 3D-QSAR models provide a good insight into the molecular features relevant to the biological activity in this series of analogs. 3D contour maps as a result of 3D-QSAR were utilized to identify some novel features that can be incorporated into the 1,4-dihydropyridine framework to enhance the activity.
Department of Chemistry, Saurashtra University, University Road, Rajkot 360005, Gujarat, India.
Ashish
A
Radadiya
Department of Pharmaceutical Chemistry, Bombay College of Pharmacy, Kalina, Santacruz (E), Mumbai 400098, India.
Vijay
V
Khedkar
Department of Chemistry, Saurashtra University, University Road, Rajkot 360005, Gujarat, India.
Abhay
A
Bavishi
Department of Chemistry, Saurashtra University, University Road, Rajkot 360005, Gujarat, India.
Hardevsinh
H
Vala
Department of Chemistry, Saurashtra University, University Road, Rajkot 360005, Gujarat, India.
Shailesh
S
Thakrar
Department of Chemistry, Saurashtra University, University Road, Rajkot 360005, Gujarat, India.
Dhairya
D
Bhavsar
Department of Chemistry, Saurashtra University, University Road, Rajkot 360005, Gujarat, India. Electronic address: anamik_shah@hotmail.com.
Anamik
A
Shah
Department of Pharmaceutical Chemistry, Bombay College of Pharmacy, Kalina, Santacruz (E), Mumbai 400098, India. Electronic address: evans@bcpindia.org.
Evans
E
Coutinho
D004095:Dihydropyridines / Q000138:chemical synthesis* / Q000494:pharmacology*; D018432:Drug Resistance, Multiple / Q000187:drug effects*; D019008:Drug Resistance, Neoplasm / Q000187:drug effects*; D021281:Quantitative Structure-Activity Relationship
D004095:Dihydropyridines; C038806:1,4-dihydropyridine
1,4-Dihydropyridines; Cancer; CoMFA; CoMSIA; HL-60 cell lines; Multidrug resistance