Beyond Traditional Structure-Based Drug Design: The Role of Iron Complexation, Strain, and Water in the Binding of Inhibitors for Hypoxia-Inducible Factor Prolyl Hydroxylase 2

• Scott D. Bembenek,
• Hariharan Venkatesan,
• Hillary M. Peltier,
• Mark D. Rosen,
• Terrance D. Barrett,
• Kimon C. Kanelakis,
• Heather L. Palomino,
• Theresa I. Brondstetter,
• Taraneh Mirzadegan,
• Michael H. Rabinowitz

Affiliations

Scott D. Bembenek

†Discovery Sciences, Janssen Research & Development, San Diego, California, United States

Hariharan Venkatesan

†Discovery Sciences, Janssen Research & Development, San Diego, California, United States

Hillary M. Peltier

Janssen Research & Development, San Diego, California, United States

Mark D. Rosen

Janssen Research & Development, San Diego, California, United States

Terrance D. Barrett

§Cardiovascular Metabolic Therapeutic Area, Janssen Research & Development, San Diego, California, United States

Kimon C. Kanelakis

Janssen Research & Development, San Diego, California, United States

Heather L. Palomino

Janssen Research & Development, San Diego, California, United States

Theresa I. Brondstetter

Janssen Research & Development, San Diego, California, United States

Taraneh Mirzadegan

†Discovery Sciences, Janssen Research & Development, San Diego, California, United States

Michael H. Rabinowitz

Janssen Research & Development, San Diego, California, United States