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  1. Article: Assessment of activity of chalcone compounds as inhibitors of 3-chymotrypsin like protease (3CL

    Mathpal, Shalini / Joshi, Tushar / Sharma, Priyanka / Pande, Veena / Chandra, Subhash

    Structural chemistry

    2022  Volume 33, Issue 5, Page(s) 1815–1831

    Abstract: The COVID-19 is still pandemic due to emerging of various variant of concern of SARS-CoV2. Hence, it is devastating the world, causing significant economic as well as social chaos. This needs great effort to search and develop effective alternatives ... ...

    Abstract The COVID-19 is still pandemic due to emerging of various variant of concern of SARS-CoV2. Hence, it is devastating the world, causing significant economic as well as social chaos. This needs great effort to search and develop effective alternatives along with vaccination. Therefore, to continue drug discovery endeavors, we used chalcone derivatives to find an effective drug candidate against SARS-CoV2. Chalcone is a common simple scaffold that exists in many diets as well as in traditional medicine. Natural as well as synthetic chalcones have shown numerous interesting biological activities and are also effective in fighting various diseases. Hence, various computational methods were applied to find out potential inhibitors of 3CL
    Supplementary information: The online version contains supplementary material available at 10.1007/s11224-022-01887-2.
    Language English
    Publishing date 2022-02-07
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2018832-8
    ISSN 1572-9001 ; 1040-0400
    ISSN (online) 1572-9001
    ISSN 1040-0400
    DOI 10.1007/s11224-022-01887-2
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  2. Article ; Online: Mercury air, urine monitoring and health effects on occupationally exposed dental healthcare workers in Delhi, India.

    Mawari, Govind / Kumar, Naresh / Sarkar, Sayan / Joshi, Tushar Kant / Frank, Arthur L / Daga, Mradul Kumar / Singh, Mongjam Meghachandra

    Work (Reading, Mass.)

    2024  

    Abstract: Background: Mercury (Hg) is a toxic heavy metal with multiple uses in various medical devices. Hg is used in dentistry as a restorative material. Such use creates significant exposure to dental practitioners. Hence, it is important to assess the risk ... ...

    Abstract Background: Mercury (Hg) is a toxic heavy metal with multiple uses in various medical devices. Hg is used in dentistry as a restorative material. Such use creates significant exposure to dental practitioners. Hence, it is important to assess the risk created by Hg use in healthcare.
    Objective: To quantify airborne Hg vapour exposure and Hg levels in dental healthcare workers, and determine the association of various symptoms and diseases to Hg exposure.
    Methods: Air monitoring of Hg vapours were conducted in dental clinics and amalgam rooms. Urine samples were collected from occupationally exposed dental healthcare workers and urine Hg levels were measured. A cross-sectional health survey was conducted in 23 healthcare units of Delhi to determine an association between Hg exposure and various health effects.
    Results: Hg vapour concentration ranged from 0.96μg/m3 to 15μg/m3, the highest concentration was recorded in the amalgam room (15μg/m3). Urine Hg levels in healthcare workers (0.51±0.17μg/L) were higher than the control (0.29±0.05μg/L). A cross-sectional health survey revealed a significant prevalence of confusion, forgetfulness, muscle spasm, and tremors by the respondents.
    Conclusion: Hg concentration in dental clinics may hover above the prescribed safe levels posing a definitive health risk to healthcare workers. Urinary Hg measurements did not reveal an excess of body burden except in one case. Since Hg bio accumulates, it is probable as these workers grow older, they may end up with a higher body burden of Hg that may lead to a variety of adverse health outcomes.
    Language English
    Publishing date 2024-01-17
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 1394194-x
    ISSN 1875-9270 ; 1051-9815
    ISSN (online) 1875-9270
    ISSN 1051-9815
    DOI 10.3233/WOR-230109
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  3. Article: In silico screening of chalcone derivatives as promising EGFR-TK inhibitors for the clinical treatment of cancer.

    Mathpal, Shalini / Joshi, Tushar / Sharma, Priyanka / Maiti, Priyanka / Nand, Mahesha / Pande, Veena / Chandra, Subhash

    3 Biotech

    2023  Volume 14, Issue 1, Page(s) 18

    Abstract: Epidermal growth factor receptor (EGFR) promotes tumorigenic characteristics and activates cancer-associated signaling pathways such as Wnt/-catenin, transforming growth factor (TGF-β), and phosphoinositide-3-kinase (PI3K). Several inhibitors have been ... ...

    Abstract Epidermal growth factor receptor (EGFR) promotes tumorigenic characteristics and activates cancer-associated signaling pathways such as Wnt/-catenin, transforming growth factor (TGF-β), and phosphoinositide-3-kinase (PI3K). Several inhibitors have been reported to suppress the activity of EGFR and are being used in cancer treatment. However, patients in the malignant stage of cancer show resistance to those inhibitors, opening a wide space for research to discover novel inhibitors. Therefore, we carried out machine learning and virtual screening to discover novel inhibitors with high affinity against EGFR-TK. Initially, a library of 2640 chalcones were screened out using a machine-learning model developed based on the random forest algorithm, exhibiting high sensitivity and a Receiver Operating Characteristic curve (ROC area) of 0.99. Furthermore, out of the initial 2640 screened compounds, 412 compounds exhibiting potential activity are subjected to evaluation for drug-likeness properties through different filters: Blood-brain barrier penetration, Lipinski's rule, CMC-50 like rule, Veber rule, and Ghose filter, alongside Cell Line Cytotoxicity Prediction. A total of 30 compounds that successfully pass through all these filters are selected for molecular docking. Of these, 6 compounds display substantial binding affinity and closer interaction with the conserved catalytic residues of the target EGFR-TK compared to the reference molecule (erlotinib). Furthermore, molecular dynamics simulation studies were conducted on four compounds (CID-375861, CID-375862, CID-23636403, and CID-259166) to confirm the stability of the docked complexes over a 100 ns simulation trajectory. Additionally, the binding free energy calculations by MMPBSA reveal that these four chalcone compounds exhibit strong affinity towards the EGFR-TK enzyme, with binding free energies of - 65.421 kJ/mol, - 94.266 kJ/mol, - 80.044 kJ/mol, and - 79.734 kJ/mol, respectively. The findings from this investigation highlight a set of promising chalcone compounds that have the potential to be developed into effective drugs for the treatment of various cancers. Further research and development on these compounds could pave the way for novel therapeutic interventions.
    Supplementary information: The online version contains supplementary material available at 10.1007/s13205-023-03858-8.
    Language English
    Publishing date 2023-12-19
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2600522-0
    ISSN 2190-5738 ; 2190-572X
    ISSN (online) 2190-5738
    ISSN 2190-572X
    DOI 10.1007/s13205-023-03858-8
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  4. Article ; Online: India: country report on children's environmental health.

    Bangalore Thimmadasiah, Narayanaswamy / Joshi, Tushar Kant

    Reviews on environmental health

    2020  Volume 35, Issue 1, Page(s) 27–39

    Abstract: Children contribute substantially to the burden of disease in India. Most common are problems with outdoor and household air pollution, with solutions not immediately apparent or implementable. Children are also often exposed to heavy metals, industrial ... ...

    Abstract Children contribute substantially to the burden of disease in India. Most common are problems with outdoor and household air pollution, with solutions not immediately apparent or implementable. Children are also often exposed to heavy metals, industrial chemicals and pesticides. Despite advances in some regions, many children still do not have adequate access to clean water and improved sanitation. Infectious diseases remain a problem, especially for children living in poverty. The children of these regions are now facing the dual problems of undernutrition and stunting on the one hand, and overnutrition and obesity on the other.
    MeSH term(s) Adolescent ; Adolescent Health ; Child ; Child Health ; Child, Preschool ; Environmental Health ; Humans ; India ; Infant ; Infant, Newborn
    Language English
    Publishing date 2020-01-11
    Publishing country Germany
    Document type Journal Article ; Review
    ZDB-ID 184450-7
    ISSN 2191-0308 ; 0048-7562 ; 0048-7554
    ISSN (online) 2191-0308
    ISSN 0048-7562 ; 0048-7554
    DOI 10.1515/reveh-2019-0073
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  5. Article ; Online: In silico

    Sharma, Priyanka / Joshi, Tushar / Mathpal, Shalini / Chandra, Subhash / Tamta, Sushma

    Journal of biomolecular structure & dynamics

    2021  Volume 40, Issue 21, Page(s) 10543–10560

    Abstract: The leaves and fruits ... ...

    Abstract The leaves and fruits of
    MeSH term(s) Humans ; Hypoglycemic Agents/chemistry ; Dipeptidyl-Peptidase IV Inhibitors/chemistry ; Diabetes Mellitus, Type 2/drug therapy ; Molecular Dynamics Simulation ; Molecular Docking Simulation ; Glucagon-Like Peptide 1 ; Gastric Inhibitory Polypeptide/pharmacology ; Gastric Inhibitory Polypeptide/therapeutic use ; Phytochemicals/pharmacology ; Phytochemicals/therapeutic use
    Chemical Substances Hypoglycemic Agents ; Dipeptidyl-Peptidase IV Inhibitors ; Glucagon-Like Peptide 1 (89750-14-1) ; Gastric Inhibitory Polypeptide (59392-49-3) ; Phytochemicals
    Language English
    Publishing date 2021-07-06
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2021.1944910
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  6. Article ; Online: Industry influence on IAOH

    Joshi Tushar

    Indian Journal of Occupational and Environmental Medicine, Vol 12, Iss 1, Pp 42-

    2008  Volume 42

    Keywords Special situations and conditions ; RC952-1245 ; Internal medicine ; RC31-1245 ; Medicine ; R ; DOAJ:Internal medicine ; DOAJ:Medicine (General) ; DOAJ:Health Sciences
    Language English
    Publishing date 2008-01-01T00:00:00Z
    Publisher Medknow Publications
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article ; Online: Potent multi-target natural inhibitors against SARS-CoV-2 from medicinal plants of the Himalaya: a discovery from hybrid machine learning, chemoinformatics, and simulation assisted screening.

    Maiti, Priyanka / Nand, Mahesha / Mathpal, Shalini / Wahab, Shadma / Kuniyal, Jagdish Chandra / Sharma, Priyanka / Joshi, Tushar / Ramakrishnan, Muthannan Andavar / Chandra, Subhash

    Journal of biomolecular structure & dynamics

    2023  , Page(s) 1–14

    Abstract: The emergence and immune evasion ability of SARS-CoV-2 Omicron strains, mainly BA.5.2 and BF.7 and other variants of concern have raised global apprehensions. With this context, the discovery of multitarget inhibitors may be proven more comprehensive ... ...

    Abstract The emergence and immune evasion ability of SARS-CoV-2 Omicron strains, mainly BA.5.2 and BF.7 and other variants of concern have raised global apprehensions. With this context, the discovery of multitarget inhibitors may be proven more comprehensive paradigm than its one-drug-to-one target counterpart. In the current study, a library of 271 phytochemicals from 25 medicinal plants from the Indian Himalayan Region has been virtually screened against SARS-CoV-2 by targeting nine virus proteins,
    Language English
    Publishing date 2023-09-21
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2023.2257333
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  8. Article ; Online: In silico

    Joshi, Tanuja / Sharma, Priyanka / Joshi, Tushar / Chandra, Subhash

    Journal of biomolecular structure & dynamics

    2019  Volume 38, Issue 12, Page(s) 3544–3562

    Abstract: Non-steroidal anti-inflammatory drugs (NSAID) targeting cyclooxygenase-2 are clinically effective. However, they lack anti-thrombotic activity resulting in incidences of adverse effects like myocardial infarction, gastrointestinal and abdominal ... ...

    Abstract Non-steroidal anti-inflammatory drugs (NSAID) targeting cyclooxygenase-2 are clinically effective. However, they lack anti-thrombotic activity resulting in incidences of adverse effects like myocardial infarction, gastrointestinal and abdominal discomfort which necessitate for discovering new drug candidates with improved therapeutic effects and tolerability. Various recent researches have suggested that many lichens offer a vast reservoir for anti-inflammatory drug candidates which are natural as well as safe for human consumption. Drug discovery is a very complex and time-consuming process; however,
    MeSH term(s) Anti-Inflammatory Agents/chemistry ; Cyclooxygenase 2 ; Cyclooxygenase 2 Inhibitors/chemistry ; Humans ; Lichens/chemistry ; Molecular Docking Simulation ; Molecular Dynamics Simulation
    Chemical Substances Anti-Inflammatory Agents ; Cyclooxygenase 2 Inhibitors ; Cyclooxygenase 2 (EC 1.14.99.1)
    Language English
    Publishing date 2019-09-15
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2019.1664328
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  9. Article ; Online: Molecular dynamics simulation for screening phytochemicals as α-amylase inhibitors from medicinal plants.

    Sharma, Priyanka / Joshi, Tushar / Joshi, Tanuja / Chandra, Subhash / Tamta, Sushma

    Journal of biomolecular structure & dynamics

    2020  Volume 39, Issue 17, Page(s) 6524–6538

    Abstract: ... Diabetes ... ...

    Abstract Diabetes mellitus
    MeSH term(s) Enzyme Inhibitors/pharmacology ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Phytochemicals/pharmacology ; Plants, Medicinal/chemistry ; alpha-Amylases/antagonists & inhibitors
    Chemical Substances Enzyme Inhibitors ; Phytochemicals ; alpha-Amylases (EC 3.2.1.1)
    Language English
    Publishing date 2020-08-04
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2020.1801507
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: In silico

    Joshi, Tanuja / Joshi, Tushar / Sharma, Priyanka / Pundir, Hemlata / Chandra, Subhash

    Journal of biomolecular structure & dynamics

    2020  Volume 39, Issue 13, Page(s) 4816–4834

    Abstract: Isocitrate Lyase (ICL) is a crucial enzyme involved in the Glyoxylate pathway, essential for the virulence of several fungal pathogens ... ...

    Abstract Isocitrate Lyase (ICL) is a crucial enzyme involved in the Glyoxylate pathway, essential for the virulence of several fungal pathogens including
    MeSH term(s) Fungicides, Industrial/pharmacology ; Fusarium/metabolism ; Isocitrate Lyase/metabolism ; Melia azedarach/metabolism ; Molecular Docking Simulation ; Molecular Dynamics Simulation
    Chemical Substances Fungicides, Industrial ; Isocitrate Lyase (EC 4.1.3.1)
    Language English
    Publishing date 2020-06-22
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2020.1780941
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