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  1. Article: Editorial: Traditional medicine bioactives for management of diabetes mellitus.

    Khanal, Pukar / Chikhale, Rupesh / Dey, Yadu Nandan / Kazeem, Mutiu Idowu

    Frontiers in pharmacology

    2023  Volume 14, Page(s) 1205939

    Language English
    Publishing date 2023-06-06
    Publishing country Switzerland
    Document type Editorial
    ZDB-ID 2587355-6
    ISSN 1663-9812
    ISSN 1663-9812
    DOI 10.3389/fphar.2023.1205939
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Current biomarkers and treatment strategies in Alzheimer disease: An overview and future perspectives.

    Bhole, Ritesh P / Chikhale, Rupesh V / Rathi, Karishma M

    IBRO neuroscience reports

    2023  Volume 16, Page(s) 8–42

    Abstract: Alzheimer's disease (AD), a progressive degenerative disorder first identified by Alois Alzheimer in 1907, poses a significant public health challenge. Despite its prevalence and impact, there is currently no definitive ante mortem diagnosis for AD ... ...

    Abstract Alzheimer's disease (AD), a progressive degenerative disorder first identified by Alois Alzheimer in 1907, poses a significant public health challenge. Despite its prevalence and impact, there is currently no definitive ante mortem diagnosis for AD pathogenesis. By 2050, the United States may face a staggering 13.8 million AD patients. This review provides a concise summary of current AD biomarkers, available treatments, and potential future therapeutic approaches. The review begins by outlining existing drug targets and mechanisms in AD, along with a discussion of current treatment options. We explore various approaches targeting Amyloid β (Aβ), Tau Protein aggregation, Tau Kinases, Glycogen Synthase kinase-3β, CDK-5 inhibitors, Heat Shock Proteins (HSP), oxidative stress, inflammation, metals, Apolipoprotein E (ApoE) modulators, and Notch signaling. Additionally, we examine the historical use of Estradiol (E2) as an AD therapy, as well as the outcomes of Randomized Controlled Trials (RCTs) that evaluated antioxidants (e.g., vitamin E) and omega-3 polyunsaturated fatty acids as alternative treatment options. Notably, positive effects of docosahexaenoic acid nutriment in older adults with cognitive impairment or AD are highlighted. Furthermore, this review offers insights into ongoing clinical trials and potential therapies, shedding light on the dynamic research landscape in AD treatment.
    Language English
    Publishing date 2023-11-30
    Publishing country Netherlands
    Document type Journal Article ; Review
    ISSN 2667-2421
    ISSN (online) 2667-2421
    DOI 10.1016/j.ibneur.2023.11.003
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article: Identification of Mycobacterium tuberculosis transcriptional repressor EthR inhibitors: Shape-based search and machine learning studies.

    Chikhale, Rupesh V / Eldesoky, Gaber E / Kolpe, Mahima Sudhir / Suryawanshi, Vikramsinh Sardarsinh / Patil, Pritee Chunarkar / Bhowmick, Shovonlal

    Heliyon

    2024  Volume 10, Issue 5, Page(s) e26802

    Abstract: Tuberculosis has been a challenge to the world since prehistoric times, and with the advent of drug-resistant strains, it has become more challenging to treat this infection. Ethionamide (ETH), a second-line drug, acts as a prodrug and targets mycolic ... ...

    Abstract Tuberculosis has been a challenge to the world since prehistoric times, and with the advent of drug-resistant strains, it has become more challenging to treat this infection. Ethionamide (ETH), a second-line drug, acts as a prodrug and targets mycolic acid synthesis by targeting the enoyl-acyl carrier protein reductase (InhA) enzyme.
    Language English
    Publishing date 2024-02-22
    Publishing country England
    Document type Journal Article
    ZDB-ID 2835763-2
    ISSN 2405-8440
    ISSN 2405-8440
    DOI 10.1016/j.heliyon.2024.e26802
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Targeting dormant phenotype acquired mycobacteria using natural products by exploring its important targets:

    Sharma, Shweta / Chikhale, Rupesh / Shinde, Nivedita / Khan, A M / Gupta, Vivek Kumar

    Frontiers in cellular and infection microbiology

    2023  Volume 13, Page(s) 1111997

    Abstract: The dormant phenotype ... ...

    Abstract The dormant phenotype of
    MeSH term(s) Biological Products/pharmacology ; Biological Products/metabolism ; Molecular Docking Simulation ; Mycobacterium tuberculosis/metabolism ; Phenotype ; Molecular Dynamics Simulation
    Chemical Substances Biological Products
    Language English
    Publishing date 2023-03-24
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2619676-1
    ISSN 2235-2988 ; 2235-2988
    ISSN (online) 2235-2988
    ISSN 2235-2988
    DOI 10.3389/fcimb.2023.1111997
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: A Review on Five and Six-Membered Heterocyclic Compounds Targeting the Penicillin-Binding Protein 2 (PBP2A) of Methicillin-Resistant

    Ambade, Shraddha S / Gupta, Vivek Kumar / Bhole, Ritesh P / Khedekar, Pramod B / Chikhale, Rupesh V

    Molecules (Basel, Switzerland)

    2023  Volume 28, Issue 20

    Abstract: Staphylococcus ... ...

    Abstract Staphylococcus aureus
    MeSH term(s) Humans ; Penicillin-Binding Proteins/chemistry ; Methicillin-Resistant Staphylococcus aureus/metabolism ; Methicillin/metabolism ; Methicillin/pharmacology ; Staphylococcus aureus/metabolism ; Anti-Bacterial Agents/pharmacology ; Anti-Bacterial Agents/metabolism ; Monobactams/metabolism ; Bacterial Proteins/chemistry ; Microbial Sensitivity Tests
    Chemical Substances Penicillin-Binding Proteins ; Methicillin (Q91FH1328A) ; Anti-Bacterial Agents ; Monobactams ; Bacterial Proteins
    Language English
    Publishing date 2023-10-10
    Publishing country Switzerland
    Document type Journal Article ; Review
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules28207008
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.MO 81: Show issues

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  6. Article ; Online: Machine learning assisted methods for the identification of low toxicity inhibitors of Enoyl-Acyl Carrier Protein Reductase (InhA).

    Chikhale, Rupesh V / Abdelghani, Heba Taha M / Deka, Hemchandra / Pawar, Atul Darasing / Patil, Pritee Chunarkar / Bhowmick, Shovonlal

    Computational biology and chemistry

    2024  Volume 110, Page(s) 108034

    Abstract: Tuberculosis (TB) is one of the life-threatening infectious diseases with prehistoric origins and occurs in almost all habitable parts of the world. TB mainly affects the lungs, and its etiological agent is Mycobacterium tuberculosis (Mtb). In 2022, more ...

    Abstract Tuberculosis (TB) is one of the life-threatening infectious diseases with prehistoric origins and occurs in almost all habitable parts of the world. TB mainly affects the lungs, and its etiological agent is Mycobacterium tuberculosis (Mtb). In 2022, more than 10 million people were infected worldwide, and 1.3 million were children. The current study considered the in-silico and machine learning (ML) approaches to explore the potential anti-TB molecules from the SelleckChem database against Enoyl-Acyl Carrier Protein Reductase (InhA). Initially, the entire database of ∼ 119000 molecules was sorted out through drug-likeness. Further, the molecular docking study was conducted to reduce the chemical space. The standard TB drug molecule's binding energy was considered a threshold, and molecules found with lower affinity were removed for further analyses. Finally, the molecules were checked for the pharmacokinetic and toxicity studies, and compounds found to have acceptable pharmacokinetic parameters and were non-toxic were considered as final promising molecules for InhA. The above approach further evaluated five molecules for ML-based toxicity and synthetic accessibility assessment. Not a single molecule was found toxic and each of them was revealed as easy to synthesise. The complex between InhA and proposed and standard molecules was considered for molecular dynamics simulation. Several statistical parameters showed the stability between InhA and the proposed molecule. The high binding affinity was also found for each of the molecules towards InhA using the MM-GBSA approach. Hence, the above approaches and findings exposed the potentiality of the proposed molecules against InhA.
    Language English
    Publishing date 2024-02-20
    Publishing country England
    Document type Journal Article
    ISSN 1476-928X
    ISSN (online) 1476-928X
    DOI 10.1016/j.compbiolchem.2024.108034
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Mycobacterial Membrane Protein Large 3 (MmpL3) Inhibitors: A Promising Approach to Combat Tuberculosis.

    Umare, Mohit D / Khedekar, Pramod B / Chikhale, Rupesh V

    ChemMedChem

    2021  Volume 16, Issue 20, Page(s) 3136–3148

    Abstract: Tuberculosis is a prominent aliment throughout the world and a leading cause of mortality among infectious diseases. Drug development for multi-drug resistance and reducing the current therapy time is the top priority. Mycobacterial membrane protein ... ...

    Abstract Tuberculosis is a prominent aliment throughout the world and a leading cause of mortality among infectious diseases. Drug development for multi-drug resistance and reducing the current therapy time is the top priority. Mycobacterial membrane protein large 3 (MmpL3) is a promising target with high potential, however, it has not been explored to its greatest potential. It is a membrane transporter that translocates trehalose-monomycolate which is a precursor for the synthesis of mycolic acid that is essential for the synthesis of the bacterial cell wall and is pathogenic in nature. In this review, we have discussed the current development of MmpL3 inhibitors, different scaffolds, their derivatives, and their synthetic schemes and provide insight into the challenges in developing these inhibitors.
    MeSH term(s) Antitubercular Agents/chemistry ; Antitubercular Agents/pharmacology ; Bacterial Proteins/antagonists & inhibitors ; Bacterial Proteins/metabolism ; Humans ; Membrane Transport Proteins/metabolism ; Microbial Sensitivity Tests ; Molecular Structure ; Mycobacterium tuberculosis/drug effects ; Tuberculosis/drug therapy ; Tuberculosis/metabolism
    Chemical Substances Antitubercular Agents ; Bacterial Proteins ; Membrane Transport Proteins ; MmpL3 protein, Mycobacterium tuberculosis
    Language English
    Publishing date 2021-08-03
    Publishing country Germany
    Document type Journal Article ; Review
    ZDB-ID 2218496-X
    ISSN 1860-7187 ; 1860-7179
    ISSN (online) 1860-7187
    ISSN 1860-7179
    DOI 10.1002/cmdc.202100359
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 6280: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 2021: Bestellungen von Artikeln über das Online-Bestellformular
    ab Jg. 2022: Lesesaal (EG)

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  8. Article: Nutritional Composition, Mineral Profiling, In Vitro Antioxidant, Antibacterial and Enzyme Inhibitory Properties of Selected Indian Guava Cultivars Leaf Extract.

    Sam Arul Raj, Moses / Amalraj, Singamoorthy / Alarifi, Saud / Kalaskar, Mohan G / Chikhale, Rupesh / Santhi, Veerasamy Pushparaj / Gurav, Shailendra / Ayyanar, Muniappan

    Pharmaceuticals (Basel, Switzerland)

    2023  Volume 16, Issue 12

    Abstract: ... Psidium ... ...

    Abstract Psidium guajava
    Language English
    Publishing date 2023-11-21
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2193542-7
    ISSN 1424-8247
    ISSN 1424-8247
    DOI 10.3390/ph16121636
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Breaking through resistance in mCRPC

    Ritesh P. Bhole / Payal M. Karche / Shaliendra S. Gurav / Rupesh V. Chikhale

    Results in Chemistry, Vol 6, Iss , Pp 101143- (2023)

    Enzalutamide analogues as effective anticancer agents for enhanced male survival

    2023  

    Abstract: To alleviate metastatic castration-resistant prostate cancer (mCRPC), enzalutamide, a non-steroidal antiandrogen, is employed. Following androgen deprivation therapy or anti-androgen treatment, compensatory mechanisms in prostate cancer have been ... ...

    Abstract To alleviate metastatic castration-resistant prostate cancer (mCRPC), enzalutamide, a non-steroidal antiandrogen, is employed. Following androgen deprivation therapy or anti-androgen treatment, compensatory mechanisms in prostate cancer have been identified, leading to increased expression and function of steroidal receptors. Comparative studies involving individuals with CRPC have demonstrated enzalutamide's superior efficacy compared to its predecessor, bicalutamide. Currently, there are four nonsteroidal antiandrogens approved by the US Food and Drug Administration, with two investigational medications undergoing clinical trials. Enzalutamide effectively slowed prostate cancer growth by preventing nuclear translocation and gene expression that are dependent on the AR, according to preclinical research. Its effectiveness in metastatic hormone-sensitive prostate cancer was supported by clinical trials like ARCHES, which also showed an improvement in radiographic progression-free survival with an acceptable safety profile. Resistance to enzalutamide can occur due to the F786L mutation. Recent research has shown that analogues of enzalutamide can overcome this resistance, enhancing anticancer activity and improving male survival rates. We will explore various enzalutamide analogues, including those with trifluoromethyl, trifluoromethoxy, diarylhydantoin, benzothiazole or benzoxazole, and 1-hydroxy-2,2,2-trifluoro-1-ethyl moieties, primarily used to address the resistance issue. Additionally, we will highlight the structural activity relationships of these analogues, which may enhance their antiproliferative effects and increase male survival rates. Notably, imidazolidine derivatives exhibit the most significant antiproliferative activity.
    Keywords Metastatic Castration Resistant prostate cancer ; Enzalutamide ; Nonsteroidal antiandrogens ; AR ; F786L mutation ; Chemistry ; QD1-999
    Subject code 610
    Language English
    Publishing date 2023-12-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  10. Article ; Conference proceedings: Identification and Characterization of FDA-Approved Drugs as Novel Binders of CLIC1

    Saxena, Aashna / MG, Mukund Sudharsan / Chikhale, Rupesh / Venkatraman, Prasanna

    Indian Journal of Medical and Paediatric Oncology

    2022  Volume 43, Issue S 01

    Event/congress National Research Scholars' Meet 2021 - Abstracts, Advanced Centre for Treatment, Research and Education in Cancer (ACTREC), Tata Memorial Centre, Navi Mumbai, 2021-12-09
    Language English
    Publishing date 2022-08-01
    Publisher Thieme Medical and Scientific Publishers Pvt. Ltd.
    Publishing place Stuttgart ; New York
    Document type Article ; Conference proceedings
    ZDB-ID 2181724-8
    ISSN 0975-2129 ; 0971-5851 ; 0975-2129
    ISSN (online) 0975-2129
    ISSN 0971-5851 ; 0975-2129
    DOI 10.1055/s-0042-1755516
    Database Thieme publisher's database

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