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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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 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.

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

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.

Affiliations and expertise

Department of Biosciences (UGC-CAS), Saurashtra University, India

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.

Affiliations and expertise

Department of Microbiology, Harivandana College, India