Computational Methods for Rational Drug Design (eBook)
1226 Seiten
Wiley (Verlag)
978-1-394-24917-6 (ISBN)
Comprehensive resource covering computational tools and techniques for the development of cost-effective drugs to combat diseases, with specific disease examples
Computational Methods for Rational Drug Design covers the tools and techniques of drug design with applications to the discovery of small molecule-based therapeutics, detailing methodologies and practical applications and addressing the challenges of techniques like AI/ML and drug design for unknown receptor structures. Divided into 23 chapters, the contributors address various cutting-edge areas of therapeutic importance such as neurodegenerative disorders, cancer, multi-drug resistant bacterial infections, inflammatory diseases, and viral infections.
Edited by a highly qualified academic with significant research contributions to the field, Computational Methods for Rational Drug Design explores topics including:
- Computer-assisted methods and tools for structure- and ligand-based drug design, virtual screening and lead discovery, and ADMET and physicochemical assessments
- In silico and pharmacophore modeling, fragment-based design, de novo drug design and scaffold hopping, network-based methods and drug discovery
- Rational design of natural products, peptides, enzyme inhibitors, drugs for neurodegenerative disorders, anti-inflammatory therapeutics, antibacterials for multi-drug resistant infections, and antiviral and anticancer therapeutics
- Protac and protide strategies in drug design, intrinsically disordered proteins (IDPs) in drug discovery and lung cancer treatment through ALK receptor-targeted drug metabolism and pharmacokinetics
Helping readers seamlessly navigate the challenges of drug design, Computational Methods for Rational Drug Design is an essential reference for pharmaceutical and medicinal chemists, biochemists, pharmacologists, and phytochemists, along with molecular modeling and computational drug discovery professionals.
Mithun Rudrapal, PhD, FIC, CChem (India) is Associate Professor at the Department of Pharmaceutical Sciences at Vignan's Foundation for Science, Technology & Research, Guntur, India. He has over a hundred publications in peer-reviewed international journals and more than a dozen books, including three with Wiley.
Comprehensive resource covering computational tools and techniques for the development of cost-effective drugs to combat diseases, with specific disease examples Computational Methods for Rational Drug Design covers the tools and techniques of drug design with applications to the discovery of small molecule-based therapeutics, detailing methodologies and practical applications and addressing the challenges of techniques like AI/ML and drug design for unknown receptor structures. Divided into 23 chapters, the contributors address various cutting-edge areas of therapeutic importance such as neurodegenerative disorders, cancer, multi-drug resistant bacterial infections, inflammatory diseases, and viral infections. Edited by a highly qualified academic with significant research contributions to the field, Computational Methods for Rational Drug Design explores topics including: Computer-assisted methods and tools for structure- and ligand-based drug design, virtual screening and lead discovery, and ADMET and physicochemical assessmentsIn silico and pharmacophore modeling, fragment-based design, de novo drug design and scaffold hopping, network-based methods and drug discoveryRational design of natural products, peptides, enzyme inhibitors, drugs for neurodegenerative disorders, anti-inflammatory therapeutics, antibacterials for multi-drug resistant infections, and antiviral and anticancer therapeuticsProtac and protide strategies in drug design, intrinsically disordered proteins (IDPs) in drug discovery and lung cancer treatment through ALK receptor-targeted drug metabolism and pharmacokinetics Helping readers seamlessly navigate the challenges of drug design, Computational Methods for Rational Drug Design is an essential reference for pharmaceutical and medicinal chemists, biochemists, pharmacologists, and phytochemists, along with molecular modeling and computational drug discovery professionals.
List of Contributors
Raghu Ram Achar
Division of Biochemistry
School of Life Sciences
JSS Academy of Higher Education & Research
Mysuru, Karnataka
India
Department of Biotechnology
JSS Science and Technology University
Mysuru, Karnataka
India
Richie Rashmin Bhandare
Department of Pharmaceutical Sciences
College of Pharmacy and Health Sciences
Ajman University, Ajman
United Arab Emirates
Centre of Medical and Bio‐allied Health
Sciences Research
Ajman University, Ajman
United Arab Emirates
Abanish Biswas
Department of Pharmaceutical Sciences
and Technology
Birla Institute of Technology
Ranchi, Jharkhand
India
Diptanil Biswas
Department of Statistical Genomics
National Institute of Biomedical Genomics
Kalyani, West Bengal
India
Ulviye Acar Çevik
Department of Pharmaceutical Chemistry
Faculty of Pharmacy
Anadolu University, Eskişehir
Turkey
Debarupa Dutta Chakraborty
Royal School of Pharmacy
The Assam Royal Global University
Guwahati, Assam
India
Prithviraj Chakraborty
Royal School of Pharmacy
The Assam Royal Global University
Guwahati, Assam
India
Shrimanti Chakraborty
Department of Pharmaceutical Sciences
and Technology
Birla Institute of Technology
Ranchi, Jharkhand
India
Soumi Chakraborty
Department of Pharmaceutical Sciences
and Technology
Birla Institute of Technology
Ranchi, Jharkhand
India
N. Chandana
Division of Biochemistry, School of Life
Sciences
JSS Academy of Higher Education & Research
Mysuru, Karnataka
India
Department of Biotechnology
JSS Science and Technology University
Mysuru, Karnataka
India
Tabsum Chhetri
Department of Bioinformatics
University of North Bengal
Darjeeling, West Bengal
India
Sohan S. Chitlange
Department of Pharmaceutical Chemistry
Dr. D. Y. Patil Institute of Pharmaceutical
Sciences and Research
Pune, Maharashtra
India
Jay Mukesh Chudasama
Department of Pharmacy
Sumandeep Vidyapeeth Deemed to be
University
Vadodara, Gujarat
India
Bhrigu Kumar Das
Pharmacology and Toxicology Laboratory
School of Pharmaceutical Sciences
Girijananda Chowdhury University, Guwahati
India
Riddhi Dave
Gujarat Arts and Science College
Ahmedabad, Gujarat
India
Shine Devarajan
School of Biotechnology and Bioinformatics
D Y Patil Deemed to be University
Navi Mumbai, Maharashtra
India
Sneha Dokhale
Department of Biotechnology
B. K. Birla College of Arts, Science &
Commerce
Kalyan, Maharashtra
India
Samiksha Garse
School of Biotechnology and Bioinformatics
D Y Patil Deemed to be University
Navi Mumbai, Maharashtra
India
John J. Georrge
Department of Bioinformatics
University of North Bengal
Darjeeling, West Bengal
India
Abhirup Ghosh
School of Biosciences and Technology
Vellore Institute of Technology
Vellore, Tamil Nadu
India
Rahul Ghosh
Department of Pharmaceutical Sciences and
Technology
Birla Institute of Technology
Ranchi, Jharkhand
India
Ashis Kumar Goswami
Department of Pharmaceutical Sciences
Faculty of Science and Engineering
Dibrugarh University
Assam
India
Shikha Goswami
Department of Pharmacology
Delhi Pharmaceutical Sciences and Research
University
New Delhi
India
Anmol Gupta
Department of Biosciences
Integral University, Lucknow
Uttar Pradesh, India
Ayşen Işik
Department of Biochemistry
Faculty of Science, Selçuk University, Konya
Turkey
Vanesa James
Department of Regulatory Affairs and Quality
Assurance
LJ Institute of Pharmacy
Ahmedabad, Gujarat
India
Risy Namratha Jamullamudi
Department of Pharmacy
Koneru Lakshmaiah Education Foundation
Vaddeswaram, AP
India
Priyanka Kamaria
Department of Pharmaceutical Chemistry
KLE College of Pharmacy
Bangalore
India
Koyel Kar
Department of Pharmaceutical Chemistry
BCDA College of Pharmacy and Technology
Kolkata, West Bengal
India
Abdüllatif Karakaya
Department of Pharmaceutical Chemistry
Faculty of Pharmacy, Zonguldak Bulent Ecevit
University, Zonguldak
Turkey
Priya Kashav
Department of Pharmacy
Sumandeep Vidyapeeth Deemed to be
University
Vadodara, Gujarat
India
Ankita Kashyap
Institute of Pharmacy
Assam Medical College and Hospital
Dibrugarh
India
Monalisa Kesh
Centre for Digital Health
Indian Institute of Technology Bombay
Mumbai
India
Kevser Kübra Kırboğa
Faculty of Engineering, Bioengineering
Department
Bilecik Seyh Edebali University
Bilecik
Türkiye
Shaunak Kolhapure
School of Biotechnology and Bioinformatics
D Y Patil Deemed to be University
Navi Mumbai, Maharashtra
India
Sathish Kumar Konidala
Department of Pharmaceutical Sciences
School of Biotechnology and Pharmaceutical
Sciences
Vignan’s Foundation for Science, Technology
and Research
Guntur, AP
India
Nigam Jyoti Maiti
Department of Pharmaceutical Sciences and
Technology
Birla Institute of Technology
Ranchi, Jharkhand
India
Manshi Mishra
Department of Pharmaceutical Sciences and
Technology
Birla Institute of Technology
Ranchi, Jharkhand
India
Saurav Kumar Mishra
Department of Bioinformatics
University of North Bengal
Darjeeling, West Bengal
India
Maitreyee Mukherjee
Department of Pharmaceutical Technology
NSHM Knowledge Campus – Group of
Institutions
Kolkata 700053,West Bengal
India
Podila Naresh
Department of Pharmaceutical Sciences
School of Biotechnology and Pharmaceutical
Sciences
Vignan’s Foundation for Science, Technology
and Research
Guntur, AP
India
Chandan Nayak
School of Pharmaceutical Education and
Research
Berhampur University
Berhampur, Odisha
India
André M. Oliveira
Department of Environment Studies
Federal Centre of Technological Education of
Minas Gerais
Contagem, Minas Gerais
Brazil
Ipsa Padhy
Department of Pharmaceutical Chemistry
School of Pharmaceutical Sciences
Siksha ‘O’ Anusandhan (Deemed to be University)
Bhubaneswar, Odisha
India
Ipsita Panigrahi
Division of Biochemistry
School of Life Sciences
JSS Academy of Higher Education & Research
Mysuru, Karnataka
India
Department of Biotechnology
JSS Science and Technology University
Mysuru, Karnataka
India
Ghanshyam Parmar
Department of Pharmacy
Sumandeep Vidyapeeth (Deemed to be
University)
Vadodara, Gujarat
India
Vaishali Patel
Department of Pharmaceutics
Laxminarayandev College of Pharmacy
Bharuch, Gujarat
India
Mukesh Kumar Patwa
Department of Microbiology
King George Medical University
Lucknow, Uttar Pradesh
India
Sathiaseelan Perumal
Department of Chemistry
Bishop Heber College
Tiruchirappalli, Tamil Nadu
India
Shantanu Raj
Department of Pharmaceutical Sciences and
Technology
Birla Institute of Technology
Ranchi, Jharkhand
India
Gourav Rakshit
Department of Pharmaceutical Sciences &
Technology
Birla Institute of Technology
Ranchi, Jharkhand
India
Sanket S. Rathod
Department of Pharmaceutical Chemistry
Bharati Vidyapeeth College of Pharmacy
Kolhapur, Maharashtra
India
Sharanya Roy
Department of Pharmaceutical Sciences and
Technology
Birla Institute of Technology
Ranchi, Jharkhand
India
Sneha Roy
Department of Bioinformatics
University of North Bengal
Darjeeling, West Bengal
India
Mithun Rudrapal
Department of Pharmaceutical Sciences
School of Biotechnology and Pharmaceutical
Sciences
Vignan’s Foundation for Science, Technology
& Research
Guntur, Andhra Pradesh
India
Biprajit Sarkar
Department of Pharmaceutical Sciences and
Technology
Birla Institute of Technology
Ranchi, Jharkhand
India
Anupam Sarma
Advanced Drug Delivery Laboratory
School of Pharmaceutical Sciences
Girijananda Chowdhury University
Guwahati
India
Ashish Shah
Department of Pharmacy
Sumandeep Vidyapeeth Deemed to be University
Vadodara, Gujarat
India
Afzal Basha...
| Erscheint lt. Verlag | 6.12.2024 |
|---|---|
| Sprache | englisch |
| Themenwelt | Naturwissenschaften ► Chemie |
| Schlagworte | ADMET • cancer, bacterial infections • de novo drug design • drug discovery • Enzyme inhibitors • Fragment-based drug design • lead discovery • ligand-based drug design • Natural Products • neurodegenerative disorders • Peptides • Pharmacophore modeling • PROTAC • protide • scaffold hopping • structure-based drug design • Viral infections • Virtual Screening |
| ISBN-10 | 1-394-24917-9 / 1394249179 |
| ISBN-13 | 978-1-394-24917-6 / 9781394249176 |
| Informationen gemäß Produktsicherheitsverordnung (GPSR) | |
| Haben Sie eine Frage zum Produkt? |
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