**Meet the editor**

Assist. Professor Dimitrios P. Vlachakis leads the Genetics and Computational Biology Group at the Genetics Laboratory, Biotechnology Department, Agricultural University of Athens. He is a medical biochemist with postgraduate, doctoral and postdoctoral studies in the eminent field of genetics, medicinal chemistry and drug discovery. He is also appointed as an associate re-

searcher at the Clinical, Experimental Surgery and Translational Research, Biomedical Research Foundation of the Academy of Athens, as well as an adjunct investigator at the Faculty of Natural and Mathematical Sciences, King's College London. His main scientific interests are aligned in three distinct axes: the design of antiviral agents, immunoinformatics, and epigenetics of neoplastic and neurodegenerative diseases.

Contents

**Preface VII**

Dimitrios Vlachakis

**Section 2 Molecular Docking for Enzymes 11**

**Chemical Entities 13**

Muhammad Ashraf

**Advances 51**

Chapter 1 **Introductory Chapter: Molecular Docking - Overview,**

**Background, Application and What the Future Holds 3**

Chapter 2 **Molecular Docking Studies of Enzyme Inhibitors and Cytotoxic**

Chapter 3 **Molecular Docking for Detoxifying Enzyme Studies 31** Rafael Trindade Maia and Vinícius Costa Amador

**Section 3 Molecular Docking for Medicinal Chemistry 49**

Chapter 4 **A Click Chemistry Approach to Tetrazoles: Recent**

Chapter 5 **Docking Studies on Novel Analogues of 8-Chloro-Quinolones**

Abel Suárez-Castro, Mario Valle-Sánchez, Carlos Jesús Cortés-García

Ravi Varala and Bollikolla Hari Babu

**against Staphylococcus aureus 77** Lucia Pintilie and Amalia Stefaniu

Chapter 6 **Molecular Docking in Halogen Bonding 99**

and Luis Chacón-García

Sadia Sultan, Gurmeet Kaur Surindar Singh, Kamran Ashraf and

**Section 1 Introduction 1**
