In Silico Design of Novel Tetra-Substituted Pyridinylimidazoles Derivatives as c-Jun N-Terminal Kinase-3 Inhibitors, Using 2D/3D-QSAR Studies, Molecular Docking and ADMET Prediction

Molecular docking, ADME/Tox prediction, and in vitro study of the cell growth inhibitory activity of five β-carboline alkaloids

(2019) Taoufik Akabli et al.   STRUCTURAL CHEMISTRY

QSAR Study of Angiotensin I-Converting Enzyme Inhibitory Peptides Using SVHEHS Descriptor and OSC-SVM

(2018) Xiao Guan et al.   International Journal of Peptide Research and Therapeutics

Combining ligand-based and structure-based drug design approaches to study the structure-activity relationships of a β-carboline derivative series

(2018) T. Akabli et al.   STRUCTURAL CHEMISTRY

JNK3 as a Therapeutic Target for Neurodegenerative Diseases

(2018) Xanthi Antoniou et al.   JOURNAL OF ALZHEIMERS DISEASE

Quionolone carboxylic acid derivatives as HIV-1 integrase inhibitors: Docking-based HQSAR and topomer CoMFA analyses

(2017) Jianbo Tong et al.   JOURNAL OF CHEMOMETRICS

c-Jun N-terminal Kinase (JNK) Signaling as a Therapeutic Target for Alzheimer’s Disease

(2016) Ramon Yarza et al.   Frontiers in Pharmacology

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

(2015) Douglas E. V. Pires et al.   JOURNAL OF MEDICINAL CHEMISTRY

Molecular Docking and Structure-Based Drug Design Strategies

(2015) Leonardo Ferreira et al.   MOLECULES

CoMFA and CoMSIA analysis of ACE-inhibitory, antimicrobial and bitter-tasting peptides

(2014) Shufen Wu et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Identification of Angiotensin Converting Enzyme Inhibitor: An In Silico Perspective

(2014) Chidambar B. Jalkute et al.   International Journal of Peptide Research and Therapeutics

Tetra-Substituted Pyridinylimidazoles As Dual Inhibitors of p38α Mitogen-Activated Protein Kinase and c-Jun N-Terminal Kinase 3 for Potential Treatment of Neurodegenerative Diseases

(2014) Felix Muth et al.   JOURNAL OF MEDICINAL CHEMISTRY

Prediction of bioactivity of HIV-1 integrase ST inhibitors by multilinear regression analysis and support vector machine

(2013) Shouyi Xuan et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

JNK3 Perpetuates Metabolic Stress Induced by Aβ Peptides

(2012) Sung Ok Yoon et al.   NEURON

Quantitative Structure–Activity Relationship Model for Prediction of Protein–Peptide Interaction Binding Affinities between Human Amphiphysin-1 SH3 Domains and Their Peptide Ligands

(2011) Yuan Ding et al.   International Journal of Peptide Research and Therapeutics

QSAR Study on Insect Neuropeptide Potencies Based on a Novel Set of Parameters of Amino Acids by Using OSC-PLS Method

(2011) Yong Lin et al.   International Journal of Peptide Research and Therapeutics