Quantitative structure-activity relationships (HQSAR, CoMFA, and CoMSIA) studies for COX-2 selective inhibitors

J Biomol Struct Dyn. 2017 May;35(7):1436-1445. doi: 10.1080/07391102.2016.1185379. Epub 2016 Aug 2.

Authors

Renan A Gomes¹, Giovani L Genesi¹, Vinicius G Maltarollo^{1

2}, Gustavo H G Trossini¹

Affiliations

¹ a Pharmaceutical Sciences Faculty, Department of Pharmacy , University of São Paulo , Av. Professor Lineu Prestes, 580, São Paulo , SP , Brazil.
² b Faculty of Pharmacy, Department of Pharmaceutical Products , Federal University of Minas Gerais , Av. Presidente Antonio Carlos, 6627, Belo Horizonte , MG , Brazil.

PMID: 27145042
DOI: 10.1080/07391102.2016.1185379

No abstract available

Publication types

Letter

MeSH terms

Cyclooxygenase 2 / chemistry*
Cyclooxygenase 2 Inhibitors / chemistry*
Cyclooxygenase 2 Inhibitors / therapeutic use
Humans
Hydrogen Bonding
Models, Molecular*
Protein Conformation / drug effects
Quantitative Structure-Activity Relationship*

Substances

Cyclooxygenase 2 Inhibitors
Cyclooxygenase 2
PTGS2 protein, human