Subtype selectivity in phosphodiesterase 4 (PDE4): a bottleneck in rational drug design

P Srivani, D Usharani, ED Jemmis… - Current Pharmaceutical …, 2008 - benthamdirect.com
Subtype selectivity of phosphodiesterase 4 (PDE4) has been proposed to be the most
salient feature for the development of drugs for asthma and inflammation. The present …

How to generate reliable and predictive CoMFA models

L Zhang, KC Tsai, L Du, H Fang, M Li… - Current medicinal …, 2011 - ingentaconnect.com
Comparative Molecular Field Analysis (CoMFA) is a mainstream and down-to-earth 3D
QSAR technique in the coverage of drug discovery and development. Even though CoMFA …

[HTML][HTML] QSAR models for CXCR2 receptor antagonists based on the genetic algorithm for data preprocessing prior to application of the PLS linear regression method …

T Asadollahi, S Dadfarnia, AMH Shabani, JB Ghasemi… - Molecules, 2011 - mdpi.com
The CXCR2 receptors play a pivotal role in inflammatory disorders and CXCR2 receptor
antagonists can in principle be used in the treatment of inflammatory and related diseases …

Increased catalytic activity through ZnMo7O24/gC3N4 heterostructured assemblies for greener indole condensation reaction at room temperature

N Azizi, E Farhadi, F Farzaneh - Scientific Reports, 2022 - nature.com
As an economical conjugated polymer, graphitic carbon nitride (g-C3N4) has recently
attracted much attention due to its exciting chemical and thermal stability and easy …

Predictive QSAR workflow for the in silico identification and screening of novel HDAC inhibitors

G Melagraki, A Afantitis, H Sarimveis, PA Koutentis… - Molecular …, 2009 - Springer
Abstract A linear Quantitative Structure–Activity Relationship (QSAR) is developed in this
work for modeling and predicting HDAC inhibition by 5-pyridin-2-yl-thiophene-2-hydroxamic …

A novel QSAR model for predicting the inhibition of CXCR3 receptor by 4-N-aryl-[1, 4] diazepane ureas

A Afantitis, G Melagraki, H Sarimveis… - European Journal of …, 2009 - Elsevier
A linear quantitative structure–activity relationship (QSAR) model is presented for modeling
and predicting the inhibition of CXCR3 receptor. The model was produced by using the …

Pharmacophore modeling, 3DQSAR, and docking-based design of polysubstituted quinolines derivatives as inhibitors of phosphodiesterase 4, and preliminary …

A Gaurav, R Singh - Medicinal Chemistry Research, 2014 - Springer
Abstract 3D QSAR models using 3D pharmacophore, CoMFA, and CoMSIA approaches
were developed for a series of quinoline derivatives as PDE4 receptor antagonists …

[HTML][HTML] Quantitative structure–activity relationship and molecular docking of 4-alkoxy-cinnamic analogues as anti-mycobacterium tuberculosis

SE Adeniji, S Uba, A Uzairu - Journal of King Saud University-Science, 2020 - Elsevier
Quantitative structure–activity relationship (QSAR) and molecular docking studies were
carried out on 4-Alkoxy-Cinnamic derivatives as potent anti-mycobacterium tuberculosis …

A novel QSAR model for designing, evaluating, and predicting the antiMES activity of new 1H-pyrazole-5-carboxylic acid derivatives

A Oluwaseye, A Uzairu, GA Shallangwa… - Journal of the Turkish …, 2017 - dergipark.org.tr
A quantitative structure–activity relationship (QSAR) study was performed to develop a
model that relates the structures of 62 compounds, which have activity against maximal …

A novel QSAR model for the evaluation and prediction of (E)-N'-Benzylideneisonicotinohydrazide derivatives as the potent anti-Mycobacterium tuberculosis antibodies …

SE Adeniji, S Uba, A Uzairu - Physical Chemistry Research, 2018 - physchemres.org
Abstract A dataset of (E)-N'-benzylideneisonicotinohydrazide derivatives as a potent anti-
mycobacterium tuberculosis has been investigated utilizing Quantitative Structure-Activity …