Meet the editor

Amalia Stefaniu has a background in chemical engineering, acquiring her bachelor's degree at Politehnica University of Bucharest, Faculty of Engineering, in Foreign Languages. She followed up her postgraduate academic studies in Drugs and Cosmetics with a master's degree in Biotechnologies and Food Safety. She completed her PHD in Exact Sciences, Chemistry Domain, in 2011 at University Politehnica of Bucharest, Faculty of Applied

Chemistry and Materials Science, Department of Inorganic Chemistry, Physical Chemistry and Electrochemistry. She joined the National Institute for Chemical Pharmaceutical Research and Development, Bucharest, in 2001, where she worked as Chemical Research Engineer in Pharmaceutical Biotechnologies. Her current position is senior research scientist. Her researche focuses on properties prediction, mathematical modeling, molecular docking, and therapeutic compounds design.

Contents

*by Amalia Stefaniu*

Quinolone Compound

Cyclooxygenase Inhibitor *by Sentot Joko Raharjo*

*by Lucia Pintilie and Amalia Stefaniu*

Protein-Protein Docking Using Map Objects *by Xiongwu Wu and Bernard R. Brooks*

Computational Study of Radiopharmaceuticals

*Derya İlem Özdemir and Makbule Asikoglu*

**Preface III**

**Chapter 1 1**

**Chapter 2 7**

**Chapter 3 19**

**Chapter 4 41**

**Chapter 5 63**

**Chapter 6 79**

*by Emine Selin Demir, Emre Ozgenc, Meliha Ekinci, Evren Atlihan Gundogdu,* 

Introductory Chapter: Molecular Docking and Molecular Dynamics

Binding of Chlorinated Phenylacrylonitriles to the Aryl Hydrocarbon Receptor: Computational Docking and Molecular Dynamics Simulations

*by Stefan Paula, Jennifer R. Baker, Xiao Zhu and Adam McCluskey*

*In Silico* Drug Design and Molecular Docking Studies of Some

Virtual Screening of Sesquiterpenoid *Pogostemon herba* as Predicted

Techniques to Achieve Rational Drug Design
