Nanotechnology and In Silico Tools
Natural Remedies and Drug Discovery
- 1st Edition - July 9, 2023
- Editors: Mital Kaneria, Kalpna Rakholiya
- Language: English
- Paperback ISBN:9 7 8 - 0 - 4 4 3 - 1 5 4 5 7 - 7
- eBook ISBN:9 7 8 - 0 - 4 4 3 - 1 5 4 5 8 - 4
Nanotechnology and In Silico Tools: Natural Remedies and Drug Discovery provides the latest information and updates in the area of drug discovery. The book covers aspects like nano… Read more

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Request a sales quoteNanotechnology and In Silico Tools: Natural Remedies and Drug Discovery provides the latest information and updates in the area of drug discovery. The book covers aspects like nanomedicines, bioinformatics, molecular docking, molecular modeling, QSAR, virtual screening, and computational chemistry as well as metabolomics research using various tools. It combines the principles of natural medicines with refined modern technology to help chemists in the development of a more ecofriendly and effective discovery process.
The drug discovery process accelerates the design of new leads for various life-threatening diseases and natural medicines. Silico tools have been an integral part of the drug discovery process, playing a major role as a template for drug discovery and offering a holistic approach to better management of various diseases.
- Combines principles of natural medicines with refined modern technology
- Provides the latest updates on drug discovery
- Covers technologies for synthetic products that can be applied for the investigation of plant-derived natural remedies
Post-graduate and researchers working with Medicinal Chemistry (drug design and drug development, molecular docking), Bioinformatics, Nanomedicine and Chemoinformatics
- Cover image
- Title page
- Table of Contents
- Copyright
- List of contributors
- Part I. Nanotechnology
- Chapter 1. Green route synthesis of silver nanoparticles (Ag-NPs) and their applications
- Introduction
- Conventional and green methods of nanoparticles synthesis
- Chemical methods
- Green-route methods
- Application of silver nanoparticles (Ag-NPs)
- Shortcomings of nanoparticles and Ag-NPs
- Discussion and future prospect
- Conclusion
- Chapter 2. Biological synthesis of nanoparticles: a value of ethnomedicine
- Introduction
- Methodology of nanoparticle synthesis
- Methodology for preparation of plant sample
- Methodology for the synthesis of nanoparticles
- Conclusion
- Chapter 3. Recent trends of viral nanotechnology: an overview
- Introduction
- Viral nanoparticles
- Nanomachines
- Bionanomaterials from plant viruses
- Virus-like nanoparticles
- Nanophytovirology
- Future perspectives
- Conclusion
- Chapter 4. Biological synthesis of nanoparticles from selected medicinal plants
- Introduction
- Green synthesis of Au, Ag, and other nanoparticles
- Green synthesis of Ag (silver) nanoparticles
- Present knowledge/insights into the biological activities of green nanoparticles
- Safety assessment for uptake, biocompatibility, and cytotoxicity of green nanoparticles
- Chapter 5. Green synthesis of silver nanoparticles, characterization techniques and biological activities
- Introduction
- Methods of synthesizing AgNPs
- Factors affecting the green synthesis of AgNPs
- Incubation time
- Characterization techniques
- Biological activities of AgNPs
- Conclusion
- Chapter 6. Synergistic effects of plant extracts and nanoparticles for therapy
- Introduction
- Polymeric nanomaterials based conjugates
- Metal-based nanomaterials
- Concluding remarks and future prospects
- Chapter 7. Biogenically efficient production and characterization of silver nanoparticles using the marine fungus Hamigera terricola along with their antimicrobial and antioxidative efficacy
- Introduction
- Experimental
- Experimental outcomes
- Conclusion
- Chapter 8. Green synthesis of silver nanoparticles and their potenial biological applications
- Introduction
- Nanoparticle
- Types of nanoparticles
- Construction
- Green synthesis
- Advantages of green synthesis
- Application
- Challenges
- Conclusion
- Chapter 9. Green synthesis of silver nanoparticles, characterization and their biological efficacy
- Introduction to nanotechnology
- Brief about silver nanoparticles (AGNPS)
- Green synthesis
- Methodology of formulation of silver nanoparticles by green synthesis
- Factors affecting formulation of silver nanoparticles by green synthesis
- Characterization of silver nanoparticles by green synthesis
- Application of silver nanoparticles
- Antibacterial mechanism of silver nanoparticles
- Toxicity of silver nanoparticle
- Conclusion
- Chapter 10. Evaluation of antimicrobial, antioxidant, and photocatalytic activity of zinc oxide nanoparticles synthesized from Parmotrema perlatum
- Introduction
- Materials and methods
- Results and discussion
- Conclusions
- Chapter 11. Versatile strategies for multifaceted nanoparticle synthesis—An overview
- Introduction
- Concluding remarks and future prospects
- Chapter 12. A comprehensive review on eco-friendly synthesized gold nanoparticles and its advantages
- Introduction
- Green synthesis approach of AuNPs
- Stabilization and functionality of AuNPs
- Properties and characteristics of gold nanoparticles
- Drug release pattern and kinetics of AuNPs
- Applications of AuNPs
- Chapter 13. Green synthesis of nanoparticles from Catharantus roseus and study of its therapeutical applications
- Introduction
- Silver nanoparticles
- Cobalt nanoparticles
- Titanium nanoparticles
- Gold nanoparticles
- Zinc oxide nanoparticles
- Conclusion
- Chapter 14. Supercritical solvent-assisted green isolation of naturally occurring therapeutically active nanomaterial—a review
- Sustainable green synthesis
- Nanoparticles
- Therapeutically active natural nanomaterial
- Experimental: sustainable greener isolation of natural nanomaterials
- Future scopes and challenges
- Part II. In silico tools and techniques
- Chapter 15. In silico studies of phytochemicals of antiviral plants against human papillomavirus-16 E6 Oncoprotein: potential therapeutic drugs for cervical cancer
- Introduction
- Materials and methods
- Results and discussion
- Conclusion
- Chapter 16. A computational approach to finding novel drug targets and their natural product inhibitors for Aspergillus flavus
- Introduction
- Materials and methods
- Results and discussions
- Conclusion and future prospectus
- Chapter 17. Virtual screening of natural product as TAM family of RTK inhibitor: A potential tool for anticancer drug design
- Introduction
- Background and epidemiology
- Current status of various MERTK inhibitors
- Natural products as anticancer agents
- Objectives
- Virtual screening and AutoDock Vina
- Docking studies
- Discussion
- Conclusion
- Chapter 18. In silico tools to comprehend legumes-derived bioactive peptides in diabetes and hypertension therapeutics
- Introduction
- Conclusion
- Chapter 19. Deciphering the scope of in silico screening of novel natural lead molecules against putative molecular targets of multidrug-resistant bacterial pathogens
- Introduction
- Recent aspects of the evolution of antimicrobial resistances
- Conventional antibacterial and their shortfalls
- Need for an alternative strategy for drug screening
- Scope of in silico biology and computational resources
- Role of natural compounds and use of bioinformatics in medicinal chemistry for AMR detection
- Major small molecules databases
- Advancements in computational biological perspectives for gaining insights into drug resistance
- Relevant case studies
- Conclusion
- Future perspectives
- Abbreviations
- Chapter 20. A computational approach to identify natural putative inhibitors to combat monkeypox
- Introduction
- Targets of monkeypox virus
- Potential anti-viral compounds to treat monkeypox
- In silico tools and techniques in natural products research
- Conclusion
- Acknowledgments
- Conflict of interest
- Chapter 21. In silico identification of natural product inhibitor for multidrug resistance proteins from selected gram-positive bacteria
- Introduction
- Materials and methods
- Results and discussion
- Conclusion
- Chapter 22. Virtual screening and molecular docking for the identification of potential antibreast cancer agents targeting estrogen receptor
- Introduction
- What is virtual screening
- Why do virtual screening
- How to do virtual screening
- Molecular docking
- Various docking programs
- iGMDOCK
- Pharmacokinetic (PK) parameters prediction
- Drug likeliness and ADME calculations
- Pharmacophore concept in natural product research
- Virtual screening in drug discovery
- Conclusion
- Chapter 23. In silico techniques for screening of key secondary metabolites of medicinal plants
- Introduction
- Secondary metabolites
- Introduction of various classes of secondary metabolites
- Result and discussion
- Chapter 24. Comprehensive resources for ligand-based drug discovery
- Introduction
- Databases
- Tools and resources
- Reverse docking or target identification
- Discussion
- Conclusion
- Chapter 25. Molecular docking of phytochemicals targeting ER, PR, and HER2 receptors as therapeutic sites for breast cancer: An in silico study
- Introduction
- Conclusion
- Chapter 26. In silico identification of novel drug target and its natural product inhibitors for herpes simplex virus
- Introduction
- Materials and methods
- Results and discussion
- Index
- No. of pages: 300
- Language: English
- Edition: 1
- Published: July 9, 2023
- Imprint: Elsevier
- Paperback ISBN: 9780443154577
- eBook ISBN: 9780443154584
MK
Mital Kaneria
Dr. Mital J. Kaneria has received his M.Sc. and Ph.D. degree in Plant Science. During his Ph.D., he was awarded a BSR Fellowship from UGC, India, for three years and later awarded young scientist award by DST-SERB to participate in an international conference at Institute of Pasture, Paris, France. He has published more than 65 research articles in journals, book chapters and conference proceedings, with notable citation indices. He is a reviewer and editorial board member of many journals, member of many scientific societies, has presented number of papers in conferences and received best paper awards, as well as recently filed one patent. Working as Assistant Professor in the Department of Biosciences, Saurashtra University, India, since 2012. He is working in the field of medicinal plants, herbal technology, pharmacology and drug discovery since more than 14 years. His doctoral research was based on the phytochemical and pharmacological potency of a selected medicinal plant from Gujarat region. His group is working on various aspects of phytochemistry, metabolomics, anti-ageing, drug discovery and designing.
KR
Kalpna Rakholiya
Dr. Kalpna D. Rakholiya has received her M.Sc., M.Phil. and Ph.D. degree in Microbiology. During her Ph.D., she was awarded UGC-MRP Fellowship and later awarded National Post Doctoral fellowship by DST-SERB. She has published more than 50 research articles in journals, book chapters and conference proceedings, with good citation score. She is a reviewer and editorial board member of many journals, member of many scientific societies, has presented number of papers in conferences and received best paper awards, as well as recently filed one patent in the area of PGPR. Presently, working as Assistant Professor and Head of the Microbiology Department, Harivandana College, Rajkot, India. She is working in the field of antimicrobials and antioxidants from medicinal plant and other sources, biocontrols and host-microbe interactions since more than 14 years. Her doctoral research was based on the antimicrobial and antioxidant properties of different parts of Kesar Mango. Currently her group is working on various aspects of exometabolomics, PGPR, antimicrobics and drug discovery.