Definitive Metabolite Identification Coupled with Automated Ligand Identification System (ALIS) Technology: A Novel Approach to Uncover Structure–Activity Relationships and Guide Drug Design in a Factor IXa Inhibitor Program

Ting Zhang; Yong Liu; Xianshu Yang; Gary E. Martin; Huifang Yao; Jackie Shang; Randal M. Bugianesi; Kenneth P. Ellsworth; Lisa M. Sonatore; Peter Nizner; Edward C. Sherer; Susan E. Hill; Ian W. Knemeyer; Wayne M. Geissler; Peter J. Dandliker; Roy Helmy; Harold B. Wood

doi:10.1021/acs.jmedchem.5b01293

Definitive Metabolite Identification Coupled with Automated Ligand Identification System (ALIS) Technology: A Novel Approach to Uncover Structure–Activity Relationships and Guide Drug Design in a Factor IXa Inhibitor Program

Journal of Medicinal Chemistry ◽

10.1021/acs.jmedchem.5b01293 ◽

2016 ◽

Vol 59 (5) ◽

pp. 1818-1829 ◽

Cited By ~ 12

Author(s):

Ting Zhang ◽

Yong Liu ◽

Xianshu Yang ◽

Gary E. Martin ◽

Huifang Yao ◽

...

Keyword(s):

Drug Design ◽

Metabolite Identification ◽

Identification System ◽

Structure Activity Relationships ◽

Factor Ixa ◽

Structure Activity ◽

Novel Approach ◽

Ligand Identification

Download Full-text

Faculty Opinions recommendation of Definitive Metabolite Identification Coupled with Automated Ligand Identification System (ALIS) Technology: A Novel Approach to Uncover Structure-Activity Relationships and Guide Drug Design in a Factor IXa Inhibitor Program.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.726140974.793529225 ◽

2017 ◽

Author(s):

Andrew Stamford

Keyword(s):

Drug Design ◽

Metabolite Identification ◽

Identification System ◽

Structure Activity Relationships ◽

Factor Ixa ◽

Structure Activity ◽

Novel Approach ◽

Ligand Identification

Download Full-text

Quantitative Structure-Activity Relationships: A Novel Approach of Drug Design and Discovery

Journal of Pharmaceutical Sciences and Pharmacology ◽

10.1166/jpsp.2014.1024 ◽

2014 ◽

Vol 1 (3) ◽

pp. 219-232 ◽

Cited By ~ 9

Author(s):

Ankur Vaidya ◽

Sourabh Jain ◽

Shweta Jain ◽

Abhishek K. Jain ◽

Ram K. Agrawal

Keyword(s):

Drug Design ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Novel Approach ◽

Quantitative Structure Activity Relationships

Download Full-text

Application of “Hydrogen-Bonding Interaction” in Drug Design. Part 2: Design, Synthesis, and Structure–Activity Relationships of Thiophosphoramide Derivatives as Novel Antiviral and Antifungal Agents

Journal of Agricultural and Food Chemistry ◽

10.1021/acs.jafc.5b02676 ◽

2015 ◽

Vol 63 (43) ◽

pp. 9435-9440 ◽

Cited By ~ 11

Author(s):

Aidang Lu ◽

Yuanyuan Ma ◽

Ziwen Wang ◽

Zhenghong Zhou ◽

Qingmin Wang

Keyword(s):

Hydrogen Bonding ◽

Drug Design ◽

Antifungal Agents ◽

Hydrogen Bonding Interaction ◽

Design Synthesis ◽

Structure Activity Relationships ◽

Structure Activity ◽

Bonding Interaction

Download Full-text

Structure-Activity Relationships in Peptides: from Modelling to Rational Drug Design

Frontiers in Drug Design &amp Discovery (Volume 3) ◽

10.2174/978160805201110703010539 ◽

2012 ◽

pp. 539-558

Author(s):

Ettore Benedetti ◽

Carlo Pedone ◽

Michele Saviano

Keyword(s):

Drug Design ◽

Rational Drug Design ◽

Structure Activity Relationships ◽

Structure Activity ◽

Rational Drug

Download Full-text

Chapter 9: Structure Activity Relationships and Basic Concepts in Drug Design

Basic Concepts in Medicinal Chemistry ◽

10.37573/9781585286027.009 ◽

2018 ◽

pp. 387-445

Keyword(s):

Drug Design ◽

Structure Activity Relationships ◽

Structure Activity ◽

Basic Concepts

Download Full-text

Computer-Aided Drug Design of Falcipain Inhibitors: Virtual Screening, Structure–Activity Relationships, Hydration Site Thermodynamics, and Reactivity Analysis

Journal of Chemical Information and Modeling ◽

10.1021/ci2005516 ◽

2012 ◽

Vol 52 (3) ◽

pp. 696-710 ◽

Cited By ~ 31

Author(s):

Falgun Shah ◽

Jiri Gut ◽

Jennifer Legac ◽

Devleena Shivakumar ◽

Woody Sherman ◽

...

Keyword(s):

Virtual Screening ◽

Drug Design ◽

Computer Aided Drug Design ◽

Structure Activity Relationships ◽

Structure Activity ◽

Computer Aided

Download Full-text

On the structure selectivity problem in drug design. A comparative study of benzylpyrimidine inhibition of vertebrate and bacterial dihydrofolate reductase via molecular graphics and quantitative structure-activity relationships

Journal of Medicinal Chemistry ◽

10.1021/jm00128a035 ◽

1989 ◽

Vol 32 (8) ◽

pp. 1895-1905 ◽

Cited By ~ 25

Author(s):

Cynthia Dias Selassie ◽

Zhaoxia Fang ◽

Renli Li ◽

Corwin Hansch ◽

Gargi Debnath ◽

...

Keyword(s):

Drug Design ◽

Comparative Study ◽

Dihydrofolate Reductase ◽

Quantitative Structure ◽

Molecular Graphics ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text

6 Quantitative drug design: parameters and quantitative structure activity relationships

SPARK ◽

10.1515/spark.77.7 ◽

2018 ◽

Author(s):

Joaquín M. Campos Rosa ◽

M. Encarnación Camacho Quesada

Keyword(s):

Drug Design ◽

Design Parameters ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text

QSAR in Drug Design an Toxicology, Proc. of the 6th Europ. Sympos. on Quantit. Structure-Activity Relationships, Portoroz, Sept. 22–26, 1986. Edit, by D. Hadži and B. Jerman-Blažič Elsevier Sci. Publ., Amsterdam 1987, XII, 376 p., US $ 97.75/DFL. 220,00. Available also from Elsevier Sci. Publ. Co, PO-Box 1663, Grand Central Station, New York, NY 10163 in North America

Pharmazie in unserer Zeit ◽

10.1002/pauz.19880170207 ◽

1988 ◽

Vol 17 (2) ◽

pp. 58-58

Author(s):

G. Folkers

Keyword(s):

New York ◽

North America ◽

Drug Design ◽

Structure Activity Relationships ◽

Structure Activity ◽

Central Station

Download Full-text

Towards a systematic analysis of human short-chain dehydrogenases/reductases (SDR): Ligand identification and structure–activity relationships

Chemico-Biological Interactions ◽

10.1016/j.cbi.2014.12.013 ◽

2015 ◽

Vol 234 ◽

pp. 114-125 ◽

Cited By ~ 17

Author(s):

Chitra Bhatia ◽

Stephanie Oerum ◽

James Bray ◽

Kathryn L. Kavanagh ◽

Naeem Shafqat ◽

...

Keyword(s):

Short Chain ◽

Systematic Analysis ◽

Structure Activity Relationships ◽

Structure Activity ◽

Ligand Identification

Download Full-text