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Файл:Ординатура / Хирургия / Библиотека им академика М.И. Перельмана / Книга_5691_Библиотеки_им_академика_М_И_Перельмана
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Ajay Kumar Goswami
Medicinal Inorganic Chemistry
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Ajay Kumar Goswami
Medicinal
Inorganic
Chemistry
Metal-Based Drugs and Metal Complexes for Therapeutic
Applications
Author
Prof. Ajay Kumar Goswami
House No. 132
Road No 5, Subhash Nagar
Udaipur 313001
Rajasthan
India
Email: akumargoswami56@gmail.com
ISBN 978-3-11-142609-9
e-ISBN (PDF) 978-3-11-142613-6
e-ISBN (EPUB) 978-3-11-142673-0
Library of Congress Control Number: 2024944670
Bibliographic information published by the Deutsche Nationalbibliothek
The Deutsche Nationalbibliothek lists this publication in the Deutsche Nationalbibliografie;
detailed bibliographic data are available on the internet at http://dnb.dnb.de.
© 2025 Walter de Gruyter GmbH, Berlin/Boston
Cover image: Love Employee/iStock/Getty Images Plus
Typesetting: Integra Software Services Pvt. Ltd.
Printing and binding: CPI books GmbH, Leck
www.degruyter.com
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Preface
This book is focused entirely on the hitherto underexplored area of inorganic medici-
nal chemistry, which is a vital branch yet less researched. The myth that metals are
always toxic and the important role of metals in biology thus warrant a thorough
analysis and research in this area. This book is a humble attempt to address the role
of metals and metal complexes as medicinal and therapeutic agents. It also tries to
include traditional medicinal chemistry used in branches like Ayurveda, Zuotai, and
the traditional Chinese system with the best possible scientific understanding and the
sources that highlight their true value. Each chapter is complete with theoretical drug
designing and real-time application using organic ligands and their cobalt complexes,
particularly from research of our own lab to show relevance of the tools used in
CADD. I do not claim success of the book yet, but hope to address researchers, chem-
ists, pharmaceutical companies and all students related to drug design using metal
complexes. Criticism and further improvement in future would mean real success.
https://doi.org/10.1515/9783111426136-202
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Contents
Preface V
Chapter 1
Introductory concepts: fundamentals of metal complexes – an overview 1
1.1 Metal-ligand bond 1
1.2 Bond types 1
1.2.1 σ bonds 2
1.2.2 π bonds 2
1.2.3 d–d π bonding 2
1.2.4 d–p π bond 3
1.3 Coordination number 3
1.4 Classification of metals 4
1.4.1 Class A and class B metals 4
1.5 Metal-metal bond in coordination compounds 5
1.6 Ligands 5
1.7 Isomerism and chirality 6
1.8 Structural isomers 6
1.9 Geometric isomers 8
1.10 Conclusion 10
1.11 Chirality 10
1.12 Medicinal inorganic chemistry and transition metal complexes 11
1.12.1 Anticancer drugs 11
1.12.2 Anti-inflammatory drugs 11
1.12.3 Antidiabetic drugs 12
1.12.4 Antimicrobials 12
1.12.5 Metal deficiency diseases 12
1.12.6 Biomineralization 12
1.12.7 Degenerative diseases per se metals 12
1.13 Metals and related compounds in alternative systems of
medicine 13
1.13.1 Ayurveda 13
1.14 Quantum logic in Ayurveda 14
1.15 Chinese alternative system of medicine or traditional Chinese
medicinal methods (TCMM) 15
1.16 Zuotai: Tibetan medicine 16
1.16.1 Treatment 16
1.17 Metal chelates in biological systems 17
1.18 Quantitative structure-activity relationship (QSAR) 17
1.19 Sustainable medicine 17
1.20 AI in drug discovery and development 18
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1.21 Computer-aided drug designing (CADD) 18
1.22 Prediction of activity spectra of substance (PASS) 19
1.23 Absorption, distributions, metabolism, excretion (ADME) and toxicity
profiling 19
1.24 Molecular docking 20
1.25 Nanomedicine and metal-based nanomedicines 20
References 21
Chapter 2
Metal-based therapies in alternative and traditional system 23
2.1 Ayurveda 23
2.1.1 Metal-based therapy in the system 25
2.1.2 Bhasmas 25
2.1.3 Svarna Bhasma (gold) 26
2.1.4 Organoleptic characteristics of Svarna Bhasma and composition 26
2.1.5 Therapeutic indications 27
2.1.6 Testing of Bhasma 27
2.1.7 Rajata (silver) Bhasma 27
2.1.8 Copper (tamra) Bhasma 28
2.1.9 Lauha Bhasma (iron) 29
2.1.10 Lead (Naga) Bhasma 30
2.1.11 Yashada Bhasma (Zinc Bhasma) 30
2.2 Metals in traditional Chinese medicinal materials (TCMM): an
overview 31
2.3 Zuotai in Tibetan medicine 32
2.3.1 Pharmacological studies on herbometallic preparations 32
2.4 Hypothesis for explaining mechanism of beneficial effects of Bhasmas
and Zuotai 33
2.5 Possible adaptation mechanism for Bhasmas and Zuotai 33
2.6 Conclusion 34
References 36
Chapter 3
Theoretical drug designing and sustainable medicine: a new paradigm 39
3.1 Sustainable medicine: the future of healthcare 39
3.2 Sustainability in drug discovery 39
3.3 Artificial intelligence in drug discovery and development 40
3.4 Future challenges of AI 41
3.5 Theoretical drug designing 41
3.6 Computer-aided drug design (CADD) 42
3.7 Available tools for theoretical drug design 43
3.7.1 Prediction of activity spectra of substance (PASS) 43
VIII Contents
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3.7.2 The absorption, distribution, metabolism, excretion (ADME) and
toxicity profiling 44
3.7.3 Molecular docking: a powerful tool for structure-based drug
discovery 45
3.7.4 Swiss ADME: a smart method for small molecules 48
3.8 Summary 49
References 49
Chapter 4
Metal complexes and their therapeutic applications 51
4.1 Mechanism of action of metal complexes 51
4.2 DNA binding with metal complexes: a brief account 52
4.2.1 Intercalation 52
4.2.2 Outer sphere binding 53
4.2.3 Inner sphere (covalent) binding 53
4.2.4 Strand breakage 53
4.3 Transition metal complexes of bioactive ligands: application for drug
delivery 54
4.3.1 What are chaperones? 54
4.3.2 What is the role of chaperones? 54
4.4 Classification of metal-based drugs 55
4.4.1 Covalent binding of metal-based drugs to biomolecules 56
4.4.2 Inhibition of enzymes 57
4.4.3 Redox-active drugs 57
4.4.4 Photodynamic and photoactivated chemotherapy 58
4.4.5 Metal complexes for delivery and release of pharmacologically active
ligands 59
4.4.6 Catalytic drugs 60
4.4.7 Radioactive agents for therapeutic application 61
4.4.8 General mechanism of drug action 61
4.4.9 Anticancer drugs 62
4.4.10 Metal complexes of other metals for therapeutic applications 64
4.4.11 Gold antiarthritic drugs 64
4.4.12 Antitumor activity of metal complexes 64
4.4.13 Therapeutic application of metal-based as antimicrobial agents 65
4.4.14 Miscellaneous complexes and application as drugs/medicine 72
4.4.15 Summary 73
References 73
Contents IX
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Chapter 5
Hydroxytriazenes and their cobalt complexes as candidates for theoretical
drug designing 78
5.1 Introduction 78
5.2 Docking protocol 80
5.2.1 Molecular docking with human pancreatic alpha-amylase protein 81
5.2.2 Molecular docking with human maltase-glucoamylase protein
receptor 82
5.2.3 Molecular docking with FAD-dependent NAD(P)H oxidase 86
5.3 Results of PASS prediction studies of hydroxytriazenes 86
5.4 ADME studies 94
References 94
Annexure 1 97
Index 113
X Contents
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