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  1. Book ; Online ; E-Book: Drug repurposing and computational drug discovery

    Rudrapal, Mithun

    strategies and advances

    2024  

    Author's details edited by Mithun Rudrapal
    Keywords Drug development/Data processing ; Therapeutics
    Subject code 615.1900285
    Language English
    Size 1 online resource (294 pages)
    Edition 1st ed.
    Publisher Apple Academic Press Inc
    Publishing place Palm Bay, FL
    Document type Book ; Online ; E-Book
    Note Includes index.
    Remark Zugriff für angemeldete ZB MED-Nutzerinnen und -Nutzer
    ISBN 1-003-34770-3 ; 1-00-334770-3 ; 1-000-80001-6 ; 9781774912782 ; 978-1-003-34770-5 ; 978-1-00-334770-5 ; 978-1-000-80001-2 ; 1774912783
    Database ZB MED Catalogue: Medicine, Health, Nutrition, Environment, Agriculture

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  2. Book ; Online ; E-Book: Polyphenols

    Rudrapal, Mithun

    Food, Nutraceutical, and Nanotherapeutic Applications

    2024  

    Author's details edited by Mithun Rudrapal
    Keywords Polyphenols ; Polyphenols/Physiological effect ; Polyphenols/Therapeutic use. ; Functional foods
    Subject code 572/.2
    Language English
    Size 1 online resource (396 pages)
    Edition First edition.
    Publisher John Wiley & Sons, Inc
    Publishing place Hoboken, New Jersey
    Document type Book ; Online ; E-Book
    Note Includes index.
    Remark Zugriff für angemeldete ZB MED-Nutzerinnen und -Nutzer
    ISBN 1-394-18886-2 ; 1-394-18885-4 ; 9781394188833 ; 978-1-394-18886-4 ; 978-1-394-18885-7 ; 1394188838
    Database ZB MED Catalogue: Medicine, Health, Nutrition, Environment, Agriculture

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  3. Book ; Online: Drug Repurposing

    Rudrapal, Mithun

    Advances, Scopes and Opportunities in Drug Discovery

    2023  

    Keywords Pharmacology ; covid-19 ; cancer ; machine learning ; big data ; angiogenesis ; screening
    Language English
    Size 1 electronic resource (224 pages)
    Publisher IntechOpen
    Document type Book ; Online
    Note English
    HBZ-ID HT030381346
    ISBN 9781837687787 ; 1837687781
    Database ZB MED Catalogue: Medicine, Health, Nutrition, Environment, Agriculture

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  4. Book ; Online ; E-Book: Dietary polyphenols in human diseases

    Rudrapal, Mithun

    advances and challenges in drug discovery

    2023  

    Abstract: Diets rich in plant polyphenols or dietary polyphenols are the subject of increasing scientific interest because of having diverse range of health benefits and medicinal uses. The book titled "Dietary Polyphenols in Human Diseases: Advances and ... ...

    Author's details edited by Mithun Rudrapal
    Abstract "Diets rich in plant polyphenols or dietary polyphenols are the subject of increasing scientific interest because of having diverse range of health benefits and medicinal uses. The book titled "Dietary Polyphenols in Human Diseases: Advances and Challenges in Drug Discovery" is indented to fill the gap that exist in the current knowledge by presenting the latest information in the area/ topic of research interest. This book focuses on the current understanding of the beneficial effects of diets rich in polyphenols and/or polyphenolic compounds derived from dietary sources (plant-based foods) on human health and their possible preventive role in the management of chronic human diseases. In addition, biochemical mechanisms involved in the antioxidative effect of dietary polyphenols along with their bioavailability, pharmacokinetic, and toxicological considerations are also discussed herein. Key features : presents health benefits and medicinal importance of dietary polyphenols having antioxidative effects and their possible preventive role against oxidative stress (OS)-induced chronic human diseases, summarizes latest understanding on the biochemical mechanism(s) involved in the antioxidative action of dietary polyphenols along with their bioavailability, pharmacokinetic, and toxicological considerations, and highlights novel approaches of drug discovery from dietary polyphenols through computational screening of bioactive phytochemical components.With contributions by a global team of experts (academicians, scientists, and researchers), this book is intended to be a useful resource to a wider audience, particularly those working in the area of drug discovery and development research, such as discovery scientists, pharmaceutical scientists (R&D), formulation scientists, medicinal chemists, pharmacologists, toxicologists, phytochemists, biochemists, clinicians, researchers, students, teachers, and many others"--
    Keywords Polyphenols
    Subject code 572.2
    Language English
    Size 1 online resource (301 pages)
    Publisher CRC Press
    Publishing place Boca Raton, Florida ; London ; New York
    Document type Book ; Online ; E-Book
    Note In English.
    Remark Zugriff für angemeldete ZB MED-Nutzerinnen und -Nutzer
    ISBN 1-00-325153-6 ; 1-003-25153-6 ; 1-000-80321-X ; 9781032170381 ; 978-1-00-325153-8 ; 978-1-003-25153-8 ; 978-1-000-80321-1 ; 1032170387
    DOI 10.1201/9781003251538
    Database ZB MED Catalogue: Medicine, Health, Nutrition, Environment, Agriculture

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  5. Book ; Online ; E-Book: Phytoantioxidants and nanotherapeutics

    Rudrapal, Mithun

    2022  

    Author's details edited by Mithun Rudrapal
    Keywords Antioxidants/Therapeutic use. ; Nanomedicine
    Subject code 613.286
    Language English
    Size 1 online resource (575 pages)
    Publisher John Wiley & Sons, Incorporated
    Publishing place Hoboken, New Jersey
    Document type Book ; Online ; E-Book
    Note Includes index.
    Remark Zugriff für angemeldete ZB MED-Nutzerinnen und -Nutzer
    ISBN 1-119-81179-1 ; 1-119-81180-5 ; 9781119811770 ; 978-1-119-81179-4 ; 978-1-119-81180-0 ; 1119811775
    Database ZB MED Catalogue: Medicine, Health, Nutrition, Environment, Agriculture

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  6. Book ; Online ; E-Book: Phytochemical drug discovery for central nervous system disorders

    Egbuna, Chukwuebuka / Rudrapal, Mithun

    biochemistry and therapeutic effects

    2023  

    Abstract: This book explores the unique biochemistry of the central nervous system (CNS) and the roles of plant-based products in the development of new drugs for the treatment of complex and lesser-known CNS disorders. The chapters document the various novel ... ...

    Author's details edited by Chukwuebuka Egbuna, Mithun Rudrapal
    Abstract "This book explores the unique biochemistry of the central nervous system (CNS) and the roles of plant-based products in the development of new drugs for the treatment of complex and lesser-known CNS disorders. The chapters document the various novel phytochemicals and their sources, which could serve as drug candidates for drug discovery against CNS disorders. Written by a global team of experts, this book is useful to drug developers, medicinal chemists, drug discovery scientists, researchers in pharmaceutical R&D, students and faculty members in the academia"--
    Keywords Central nervous system/Diseases
    Subject code 737
    Language English
    Size 1 online resource (615 pages)
    Publisher John Wiley & Sons, Inc
    Publishing place Hoboken, New Jersey
    Document type Book ; Online ; E-Book
    Remark Zugriff für angemeldete ZB MED-Nutzerinnen und -Nutzer
    ISBN 1-119-79411-0 ; 1-119-79412-9 ; 9781119794097 ; 978-1-119-79411-0 ; 978-1-119-79412-7 ; 1119794099
    Database ZB MED Catalogue: Medicine, Health, Nutrition, Environment, Agriculture

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  7. Book ; Online ; E-Book: Phytochemistry, computational tools, and databases in drug discovery

    Egbuna, Chukwuebuka / Rudrapal, Mithun / Tijjani, Habibu

    (Drug Discovery Update)

    2023  

    Author's details edited by Chukwuebuka Egbuna, Mithun Rudrapal, and Habibu Tijjani
    Series title Drug Discovery Update
    MeSH term(s) Drug Discovery. ; Plants, Medicinal ; Phytotherapy.
    Keywords Botanical chemistry
    Subject code 572.2
    Language English
    Size 1 online resource (494 pages)
    Publisher Elsevier
    Publishing place Amsterdam, Netherlands ; London, England
    Document type Book ; Online ; E-Book
    Remark Zugriff für angemeldete ZB MED-Nutzerinnen und -Nutzer
    ISBN 0-323-90716-4 ; 9780323905930 ; 978-0-323-90716-3 ; 0323905935
    Database ZB MED Catalogue: Medicine, Health, Nutrition, Environment, Agriculture

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  8. Article ; Online: Feature Engineering-Assisted Drug Repurposing on Disease-Drug Transcriptome Profiles in Gastric Cancer.

    Kırboğa, Kevser Kübra / Rudrapal, Mithun

    Assay and drug development technologies

    2024  

    Language English
    Publishing date 2024-04-04
    Publishing country United States
    Document type Journal Article
    ISSN 1557-8127
    ISSN (online) 1557-8127
    DOI 10.1089/adt.2023.141
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Explainable artificial intelligence-assisted virtual screening and bioinformatics approaches for effective bioactivity prediction of phenolic cyclooxygenase-2 (COX-2) inhibitors using PubChem molecular fingerprints.

    Rudrapal, Mithun / Kirboga, Kevser Kübra / Abdalla, Mohnad / Maji, Siddhartha

    Molecular diversity

    2024  

    Abstract: Cyclooxygenase-2 (COX-2) inhibitors are nonsteroidal anti-inflammatory drugs that treat inflammation, pain and fever. This study determined the interaction mechanisms of COX-2 inhibitors and the molecular properties needed to design new drug candidates. ... ...

    Abstract Cyclooxygenase-2 (COX-2) inhibitors are nonsteroidal anti-inflammatory drugs that treat inflammation, pain and fever. This study determined the interaction mechanisms of COX-2 inhibitors and the molecular properties needed to design new drug candidates. Using machine learning and explainable AI methods, the inhibition activity of 1488 molecules was modelled, and essential properties were identified. These properties included aromatic rings, nitrogen-containing functional groups and aliphatic hydrocarbons. They affected the water solubility, hydrophobicity and binding affinity of COX-2 inhibitors. The binding mode, stability and ADME properties of 16 ligands bound to the Cyclooxygenase active site of COX-2 were investigated by molecular docking, molecular dynamics simulation and MM-GBSA analysis. The results showed that ligand 339,222 was the most stable and effective COX-2 inhibitor. It inhibited prostaglandin synthesis by disrupting the protein conformation of COX-2. It had good ADME properties and high clinical potential. This study demonstrated the potential of machine learning and bioinformatics methods in discovering COX-2 inhibitors.
    Language English
    Publishing date 2024-01-10
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 1376507-3
    ISSN 1573-501X ; 1381-1991
    ISSN (online) 1573-501X
    ISSN 1381-1991
    DOI 10.1007/s11030-023-10782-9
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Anti-Parkinson potential of hesperetin nanoparticles:

    Pasala, Praveen Kumar / Rudrapal, Mithun / Challa, Ranadheer Reddy / Ahmad, Sheikh F / Vallamkonda, Bhaskar / R, Ram Babu

    Natural product research

    2024  , Page(s) 1–10

    Abstract: Parkinson's disease (PD) is characterised by the gradual demise of dopaminergic neurons. In recent years, there has been significant interest in herbal treatments. In this study, hesperetin nanoparticles (HTN) were developed and compared their anti-PD ... ...

    Abstract Parkinson's disease (PD) is characterised by the gradual demise of dopaminergic neurons. In recent years, there has been significant interest in herbal treatments. In this study, hesperetin nanoparticles (HTN) were developed and compared their anti-PD potential with hesperetin (HT) on rotenone induced PD rats. Molecular docking was also performed to evaluate the binding affinity of hesperetin on pathological protein, i.e. D2 dopamine receptors (DR2), using Auto Dock Vina tools. The results showed a higher binding relationship of HTN on dopamine receptors (-7.2 kcal/mol) compared to L-dopa (-6.4 kcal/mol), supporting their potential as drug candidates for PD therapy. HTN was effectively synthesised using the fabrication technique and characterised by zeta potential and SEM analysis. HTN had favourable characteristics, including a size of 249.8 ± 14.9 nm and a Z-potential of -32.9 mV. After being administered orally, HTN demonstrated a notable anti-Parkinsonian effects, indicated by the significant improvement in motor function as assessed by the rota rod test (
    Language English
    Publishing date 2024-04-22
    Publishing country England
    Document type Journal Article
    ZDB-ID 2185747-7
    ISSN 1478-6427 ; 1478-6419
    ISSN (online) 1478-6427
    ISSN 1478-6419
    DOI 10.1080/14786419.2024.2344740
    Database MEDical Literature Analysis and Retrieval System OnLINE

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