Electrotopological state atom (E-state) index in drug design, QSAR, property prediction and toxicity assessment
K Roy, I Mitra - Current computer-aided drug design, 2012 - ingentaconnect.com
Over the last two decades, a great deal of research has been oriented towards
determination of correlation between molecular structures and a variety of responses …
determination of correlation between molecular structures and a variety of responses …
QSAR studies in the discovery of novel type-II diabetic therapies
A Abuhammad, MO Taha - Expert opinion on drug discovery, 2016 - Taylor & Francis
Introduction: Type-II diabetes mellitus (T2DM) is a complex chronic disease that represents a
major therapeutic challenge. Despite extensive efforts in T2DM drug development, therapies …
major therapeutic challenge. Despite extensive efforts in T2DM drug development, therapies …
Dipeptidyl peptidase IV inhibitors: a new paradigm in type 2 diabetes treatment
S Janardhan, G Narahari Sastry - Current Drug Targets, 2014 - ingentaconnect.com
Dipeptidyl peptidase IV (DPP4) is a promising target for the treatment of chronic metabolic
type 2 diabetes mellitus (T2D). DPP4 is a highly specific serine protease involved in the …
type 2 diabetes mellitus (T2D). DPP4 is a highly specific serine protease involved in the …
Identifying 124 new anti-HIV drug candidates in a 37 billion-compound database: An integrated approach of machine learning (QSAR), molecular docking, and …
A de Fátima Cobre, A Ara, AC Alves, MM Neto… - Chemometrics and …, 2024 - Elsevier
Recent data from the World Health Organization reveals that in 2023, 38.8 million people
were living with HIV. Within this population, there were 1.5 million new cases and 650 …
were living with HIV. Within this population, there were 1.5 million new cases and 650 …
A QSAR model for predicting antidiabetic activity of dipeptidyl peptidase-IV inhibitors by enhanced binary gravitational search algorithm
Time-varying binary gravitational search algorithm (TVBGSA) is proposed for predicting
antidiabetic activity of 134 dipeptidyl peptidase-IV (DPP-IV) inhibitors. To improve the …
antidiabetic activity of 134 dipeptidyl peptidase-IV (DPP-IV) inhibitors. To improve the …
Fragment-based QSAR study to explore the structural requirements of DPP-4 inhibitors: a stepping stone towards better type 2 diabetes mellitus management
ABSTRACT Dipeptidyl peptidase-4 (DPP-4) inhibitors belong to a prominent group of
pharmaceutical agents that are used in the governance of type 2 diabetes mellitus (T2DM) …
pharmaceutical agents that are used in the governance of type 2 diabetes mellitus (T2DM) …
Hybrid docking-QSAR studies of DPP-IV inhibition activities of a series of aminomethyl-piperidones
Z Amini, MH Fatemi, S Gharaghani - Computational Biology and Chemistry, 2016 - Elsevier
In this study, the dipeptidyl peptidase-IV (DPP-IV) inhibition activities of a series of novel
aminomethyl-piperidones were investigated by molecular docking studies and modeled by …
aminomethyl-piperidones were investigated by molecular docking studies and modeled by …
Dual inhibition of DPP-4 and cholinesterase enzymes by the phytoconstituents of the ethanolic extract of Prosopis cineraria pods: therapeutic implications for the …
Background: Insulin resistance causes decreased uptake of glucose which promotes the
susceptibility of type 2 associated neurological impairments. Methods: The study was aimed …
susceptibility of type 2 associated neurological impairments. Methods: The study was aimed …
QSAR studies on pyrrolidine amides derivatives as DPP-IV inhibitors for type 2 diabetes
X Yang, M Li, Q Su, M Wu, T Gu, W Lu - Medicinal Chemistry Research, 2013 - Springer
A large series of pyrrolidine amides derivatives as DPP-IV inhibitors was subjected to
quantitative structure–activity relationship (QSAR) analysis. These 248 geometrical …
quantitative structure–activity relationship (QSAR) analysis. These 248 geometrical …
The role of qsar and virtual screening studies in type 2 diabetes drug discovery
Background: Due to the increasing number of diabetes cases worldwide, there is an
international concern to provide even more effective treatments to control this condition …
international concern to provide even more effective treatments to control this condition …