Computational Modeling of Drugs Against Alzheimer’s Disease

ISBN-13: 9781071633106 / Angielski / Twarda / 2023

Opis

This second edition volume expands on the previous edition with updated descriptions on different computational methods encompassing ligand-based, structure-based, and combined approaches with their recent applications in anti-Alzheimer drug design. Different background topics like recent advancements in research on the development of novel therapies and their implications in the treatment of Alzheimer’s Disease (AD) have also been covered for completeness. Special topics like basic information science methods for insight into neurodegenerative pathogenesis, drug repositioning and network pharmacology, and online tools to predict ADMET behavior with reference to anti-Alzheimer drug development have also been included. In the Neuromethods series style, chapter include the kind of detail and key advice from the specialists needed to get successful results in your laboratory.

Cutting-edge and thorough, Computational Modeling of Drugs Against Alzheimer’s Disease, Second Edition is a valuable resource for all researchers and scientists interested in learning more about this important and developing field.

Spis treści

Dedication…
About the Editor…
Series Preface…
Preface…
Table of Contents…
Contributing Authors…

Part I. Recent Progress in Understanding Molecular Etiology of Alzheimer’s Disease

1. Recent Progress in the Treatment Strategies of Alzheimer’s Disease
Vinay Kumar and Kunal Roy

Part II. Recent Advances in Computational Modeling of Anti-Alzheimer Drugs 

2. Understanding the Mechanisms of Amyloid Beta (Aβ) Aggregation by Computational Modeling
Praveen P. N. Rao, Yusheng Zhao, and Rui Huang

3. Recent Advances in Computational Modeling of BACE1 Inhibitors as Anti-Alzheimer Agents
Konstantinos D. Papavasileiou, Francesco Dondero, Georgia Melagraki, and Antreas Afantitis

4. Modeling of BACE-1 Inhibitors as Anti-Alzheimer’s Agents
Thamires Quadros Froes, Deyse Brito Barbosa, Mayra Ramos do Bomfim, Franco Henrique Andrade Leite, and Marcelo Santos Castilho

5. Computational Modeling of Kinase Inhibitors as Anti-Alzheimer Agents
Priyanka De and Kunal Roy

6. Computer-Assisted Drug Design: A Toolbox for Novel Tau Kinase Inhibitors and Its Implications in Alzheimer’s Disease
Arvind Kumar Jain, C. Karthikeyan, Piyush Trivedi, and Anita Dutt Konar

7. Computational Modeling Approaches in Search of Anti-Alzheimer Agents: Case Studies of Phosphodiesterase Inhibitors
Vinay Kumar and Kunal Roy

8. Recent Advances in Computational Modeling of Multi-Targeting Inhibitors as Anti-Alzheimer Agents
Khac-Minh Thai, Thai-Son Tran, The-Huan Tran, Thi-Cam-Nhung Cao, Hoang-Nhan Ho, Phuong Nguyen Hoai Huynh, Tan Thanh Mai, Thanh-Dao Tran, Minh-Tri Le, and Van-Thanh Tran

9. Computational Modeling of PET and SPECT Imaging Agents as Diagnostics for Alzheimer’s Disease
Priyanka De and Kunal Roy

Part III Computational Modeling of Anti-Alzheimer Drugs Against Newer Targets

10. Computational Modeling of DYRK1A Inhibitors as Potential Anti-Alzheimer Agents
Eva Serrano-Candelas, Laureano E. Carpio, and Rafael Gozalbes

11. Computational Modeling of MAO Inhibitors as Anti-Alzheimer Agents
Gurmeet Kaur, Deepti Goyal, and Bhupesh Goyal

12. Computational Modeling of Phosphodiesterase Inhibitors as Anti-Alzheimer Agents
Ioanna-Chrysoula Tsopka and Dimitra Hadjipavlou-Litina

13. Computational Methods for the Design and Development of Glutaminyl Cyclase Inhibitors in Alzheimer’s Disease
Kiran Bagri, Ashwani Kumar, Parvin Kumar, Archana Kapoor, and Vikas Verma

Part IV Special Topics

14. Basic Information Science Methods for Insight into Neurodegenerative Pathogenesis
Thomas H.W. Lushington, Mary I. Zgurzynski, and Gerald H. Lushington

15. Network Pharmacology for Drug Repositioning in Anti-Alzheimer's Drug Development
Raju Dash, Yeasmin Akter Munni, Sarmistha Mitra, Nayan Dash, and Il Soo Moon

16. Web Services for the Prediction of ADMET Parameters Relevant to the Design of Neuroprotective Drugs
Valentin O. Perkin, Grigory V. Antonyan, Eugene V. Radchenko, and Vladimir A. Palyulin 

Subject Index List…