Drug Delivery Systems Using Quantum Computing (Hardcover)

Foreword xxi

Preface xxiii

Acknowledgments xxv

1 Quantum Computational Concepts and Approaches in Drug Discovery, Development and Delivery 1
Dhanalekshmi Unnikrishnan Meenakshi, Suresh Manic Kesavan, Arul Prakash Francis and Shah Alam Khan

2 Quantum-Enabled Drug Discovery Process 27
Abhishek Rao, Deepika Kumari, Satyendra Singh, Ketan Kumar and Vijay Kumar Prajapati

3 Quantum Computing and Its Promise in Drug Discovery 57
Rakhi Mishra, Prem Shankar Mishra, Rupa Mazumder, Avijit Mazumder and Shruti Varshney

4 Exploring Nano-Based Therapeutics by Quantum Computational Modeling 93
Ponduri Teja Kumar, Roja Rani Budha, G. Raghavendra Kumar, B. Nagamani and G.S.N. Koteswara Rao

5 Application of Quantum Computational Simulation in Drug Delivery Strategies with Carbon Nanotubes 141
Rupali Sharma, Yashomita Mehta, Shekhar Sharma, Jagriti Narang and Shabnam Thakur

6 Quantum Computation Approach for Nanotechnology-Based Targeted Drug Delivery Systems 171
Smriti Ojha, Sudhanshu Mishra, Anubhav Anand, Amrita Singh and Palak Gupta

7 Role of Quantum Computing Simulations in Targeted Drug Delivery of Liposomes 195
Rupali Sharma, Suman Khurana, Arun Mittal, Parveen Kumar Goyal, Kavita Sangwan and Satish Sardana

8 Quantum Computational Methods and Computer-Aided Drug Design in Transdermal Drug Delivery of Nanoparticles 231
Jahasultana Mohammed, Haritha Lanka, Roja Rani Budha, Rajasekhar Reddy Alavala, G.S.N. Koteswara Rao and Surya Kovvasu

9 Computational Approaches for Drug Delivery of Nanoparticles 247
Urvashi Sharma, Hemant Khambete, Nitu Singh, Sanjay Jain, Neelam Jain and Kamal Dua

10 Utilization of Computational Methods for Rational Development of Nanoemulsions, Polymeric Micelles, and Dendrimers Drug Delivery Systems 283
Swarupanjali Padhi and Rupa Mazumder

11 Molecular Simulation: A Promising Tool for In Silico Design of Drug Delivery Formulations 325
Prem Shankar Mishra, Rakhi Mishra and Deepika Sharma

12 Controlling the Drug Release Rate and Targeted Drug Delivery to the Desired Site by Molecular Simulation 353
Deepika Bairagee, Sunita Panchawat, Neelam Jain and Sirisha Pingali

13 Molecular Docking: An Essential Step in Computer-Aided Drug Design 389
Lata Potey, Suchita Waghmare, Anshu Chaudhary Dudhe, Rupesh Dudhe and Prafulla Sabale

14 Challenges and Emerging Problems in CADD 407
Akshita Arora, Simranjeet Kaur and Amandeep Singh

References 438

Index 443