4.4 Article

Application of GQSAR for Scaffold Hopping and Lead Optimization in Multitarget Inhibitors

Related references

Note: Only part of the references are listed.
Article Chemistry, Medicinal

Molecular Docking and Pharmacophore Filtering in the Discovery of Dual-Inhibitors for Human Leukotriene A4 Hydrolase and Leukotriene C4 Synthase

Sundarapandian Thangapandian et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)

Review Biochemical Research Methods

From in silico target prediction to multi-target drug design: Current databases, methods and applications

Alexios Koutsoukas et al.

JOURNAL OF PROTEOMICS (2011)

Article Chemistry, Medicinal

Polyamines in Drug Discovery: From the Universal Template Approach to the Multitarget-Directed Ligand Design Strategy

Carlo Melchiorre et al.

JOURNAL OF MEDICINAL CHEMISTRY (2010)

Article Biochemical Research Methods

A comprehensive structure-activity analysis of protein kinase B-alpha (Akt1) inhibitors

Subhash Ajmani et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2010)

Review Biotechnology & Applied Microbiology

Mechanisms of drug combinations: interaction and network perspectives

Jia Jia et al.

NATURE REVIEWS DRUG DISCOVERY (2009)

Article Chemistry, Medicinal

Group-Based QSAR (G-QSAR): Mitigating Interpretation Challenges in QSAR

Subhash Ajmani et al.

QSAR & COMBINATORIAL SCIENCE (2009)

Article Chemistry, Medicinal

Discovery of Multitarget Inhibitors by Combining Molecular Docking with Common Pharmacophore Matching

Dengguo Wei et al.

JOURNAL OF MEDICINAL CHEMISTRY (2008)

Review Chemistry, Medicinal

Recent Advances in the Development of Multi-Kinase Inhibitors

Martin Krug et al.

MINI-REVIEWS IN MEDICINAL CHEMISTRY (2008)

Review Pharmacology & Pharmacy

How to design multi-target drugs: target search options in cellular networks

Tamas Korcsmaros et al.

EXPERT OPINION ON DRUG DISCOVERY (2007)

Review Pharmacology & Pharmacy

Fragments, network biology and designing multiple ligands

Richard Morphy et al.

DRUG DISCOVERY TODAY (2007)

Article Multidisciplinary Sciences

Escape from HER-family tyrosine kinase inhibitor therapy by the kinase-inactive HER3

Natalia V. Sergina et al.

NATURE (2007)

Review Pharmacology & Pharmacy

Multi-target therapeutics: when the whole is greater than the sum of the parts

Grant R. Zimmermann et al.

DRUG DISCOVERY TODAY (2007)

Review Biotechnology & Applied Microbiology

Innovation - A robustness-based approach to systems-oriented drug design

Hiroaki Kitano

NATURE REVIEWS DRUG DISCOVERY (2007)

Article Chemistry, Medicinal

The physicochemical challenges of designing multiple ligands

Richard Morphy et al.

JOURNAL OF MEDICINAL CHEMISTRY (2006)

Review Oncology

Mechanisms of disease: understanding resistance to HER2-targeted therapy in human breast cancer

Rita Nahta et al.

NATURE CLINICAL PRACTICE ONCOLOGY (2006)

Article Biochemistry & Molecular Biology

Can we rationally design promiscuous drugs?

AL Hopkins et al.

CURRENT OPINION IN STRUCTURAL BIOLOGY (2006)

Review Chemistry, Medicinal

Designed multiple ligands. An emerging drug discovery paradigm

R Morphy et al.

JOURNAL OF MEDICINAL CHEMISTRY (2005)

Review Pharmacology & Pharmacy

Target-based drug discovery: is something wrong?

F Sams-Dodd

DRUG DISCOVERY TODAY (2005)

Review Pharmacology & Pharmacy

From magic bullets to designed multiple ligands

R Morphy et al.

DRUG DISCOVERY TODAY (2004)

Article Chemistry, Medicinal

Drug evolution concept in drug design: 1. Hybridization method

C Lazar et al.

JOURNAL OF MEDICINAL CHEMISTRY (2004)

Article Biotechnology & Applied Microbiology

Innovation - Target discovery

MA Lindsay

NATURE REVIEWS DRUG DISCOVERY (2003)

Article Chemistry, Medicinal

Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates

M Shen et al.

JOURNAL OF MEDICINAL CHEMISTRY (2003)

Review Biotechnology & Applied Microbiology

Issues and progress with protein kinase inhibitors for cancer treatment

J Dancey et al.

NATURE REVIEWS DRUG DISCOVERY (2003)

Article Chemistry, Multidisciplinary

QSAR Modeling using chirality descriptors derived from molecular topology

A Golbraikh et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)

Article Chemistry, Multidisciplinary

An alignment-independent versatile structure descriptor for QSAR and QSPR based on the distribution of molecular features

K Baumann

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2002)

Article Chemistry, Multidisciplinary

Novel variable selection quantitative structure-property relationship approach based on the k-nearest-neighbor principle

WF Zheng et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2000)