Open access peer-reviewed Edited Volume

Molecular Docking - Recent Advances

Erman Salih Istifli

Çukurova University

A multidisciplinary researcher working in the fields of cytogenetics, molecular genetics, and bioinformatics-based molecular modeling (currently on the structural biology of COVID-19 and the treatment of Alzheimer’s disease). Dr. Istifli previously joined the molecular cytogenetics group at the Max Planck Institute for Molecular Genetics in Berlin, Germany where he contributed experimentally to the identification of four candidate genes (GRIA2, GLRB, NPY1R, and NPY5R).


Protein-Ligand Interaction Lead Discovery Molecular Recognition Enzyme-Ligand Interaction Mutant Enzymes Alanine Screening Proteasome Inhibitors Signal Transducers Transcription Activators (STATs) DNA Recognition Motifs Neoplastic Cells Amyloid-Beta Proteins

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About the book

Molecular modeling methods in new drug discovery or 'repurposing' approaches of known approved drugs have gained a very important place in understanding the behavior of complex biological and chemical systems. The integration of experimental methods with computational methods is invaluable both in the development of promising new bioactive compounds and in the molecular characterization of protein-ligand or protein-protein interactions. Molecular docking, in one of these molecular modeling methods, is a unique approach to revealing key interactions in important molecular recognition processes and to accurately predict receptor-ligand binding free energies. Today, the molecular docking method has not only enabled the discovery of new drugs and therapeutic agents but also opened different windows to the submicroscopic world of interacting partner molecules by providing a unique atomistic perspective in the explanation of important intermolecular phenomena.

The topics covered in this book are mainly:
1. Emphasizing the unique power of the molecular docking method in new drug discovery;
2. Demonstration of how the molecular docking technique has led to the discovery of new molecules in cancer therapy, proteasome, and STAT3 inhibition, and the treatment of Alzheimer's disease;
3. Underlining the importance of molecular docking-based modeling methods in the various branches of biotechnology

We hope that this book will be a common point where researchers working in the fields of life sciences and drug development will eventually meet.

Publishing process

Book initiated and editor appointed

Date completed: March 3rd 2022

Applications to edit the book are assessed and a suitable editor is selected, at which point the process begins.

Chapter proposals submitted and reviewed

Deadline Extended: Open for Submissions

Potential authors submit chapter proposals ready for review by the academic editor and our publishing review team.

Approved chapters written in full and submitted

Deadline for full chapters: July 3rd 2022

Once approved by the academic editor and publishing review team, chapters are written and submitted according to pre-agreed parameters

Full chapters peer reviewed

Review results due: September 21st 2022

Full chapter manuscripts are screened for plagiarism and undergo a Main Editor Peer Review. Results are sent to authors within 30 days of submission, with suggestions for rounds of revisions.

Book compiled, published and promoted

Expected publication date: November 20th 2022

All chapters are copy-checked and typesetted before being published. IntechOpen regularly submits its books to major databases for evaluation and coverage, including the Clarivate Analytics Book Citation Index in the Web of ScienceTM Core Collection. Other discipline-specific databases are also targeted, such as Web of Science's BIOSIS Previews.

About the editor

Erman Salih Istifli

Çukurova University

Dr. Erman Salih İstifli received his Ph.D. from Biology Department of Cukurova University, Insitute of Science and Letter. In his doctoral study, Dr. İstifli focused on the elucidation of the genotoxic and cytotoxic effects of a commonly used anticancer agent (antifolate) on human lymphocytes. During his period of doctoral research, he joined the molecular cytogenetics group at the Max Planck Institute for Molecular Genetics in Berlin, Germany, and he focused there on investigating the molecular cytogenetic causes of some human rare diseases. During these studies, he contributed experimentally to the identification of four candidate genes (GRIA2, GLRB, NPY1R, and NPY5R) responsible for intelligence and obesity. He was assigned as an expert and rapporteur on eight candidate projects in the Marie-Sklodowska Curie-Actions Innovative Training Networks in 2016. In 2017, he completed the online theoretical and practical course 'Introduction to Biology - The Secret of Life', run by the Massachusetts Institute of Technology (MIT) on the edX platform. In April 2019, within the framework of Erasmus+ staff mobility program, he gave seminars on 'DNA microarrays and their use in genotoxicity' at Tirana University in Tirana, Albania. He is a published author of several articles in journals covered by the SCI and SCI-E, and has manuscripts in other refereed scientific journals. He currently serves as a referee in several journals covered by the SCI and SCI-E. His studies mainly fall into the field of genetic toxicology. He continues his current research on the structural biology of COVID-19 as well as identification of novel plant-based hit compounds in the treatment of Alzheimer’s disease.

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Book chapters authored 1

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