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  1. Article ; Online: Role of various cell types on asthma symptomology.

    Varadharajan, Venkatramanan

    The Journal of allergy and clinical immunology

    2020  Volume 145, Issue 5, Page(s) 1480

    MeSH term(s) Asthma ; Bronchoconstriction ; Humans ; Mannitol ; Risk Factors
    Chemical Substances Mannitol (3OWL53L36A)
    Language English
    Publishing date 2020-02-29
    Publishing country United States
    Document type Letter ; Comment
    ZDB-ID 121011-7
    ISSN 1097-6825 ; 1085-8725 ; 0091-6749
    ISSN (online) 1097-6825 ; 1085-8725
    ISSN 0091-6749
    DOI 10.1016/j.jaci.2019.11.050
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  2. Article ; Online: Synthesis of novel (

    Riadi, Yassine / Afzal, Obaid / Kumar, Shashank / Varadharajan, Venkatramanan / Geesi, Mohammed H

    Journal of biomolecular structure & dynamics

    2024  , Page(s) 1–14

    Abstract: This work describes the successful synthesis of a series of three novel thiazolidinone-carvone-O-alkyl hybrids through a two-step approach involving heterocyclization and O-alkylation reactions. Comprehensive structural characterization of the obtained ... ...

    Abstract This work describes the successful synthesis of a series of three novel thiazolidinone-carvone-O-alkyl hybrids through a two-step approach involving heterocyclization and O-alkylation reactions. Comprehensive structural characterization of the obtained products was achieved using NMR and HRMS spectroscopic techniques. This study assessed
    Language English
    Publishing date 2024-03-25
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2024.2331095
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  3. Article ; Online: Cheminformatics and systems pharmacology approaches to unveil the potential plant bioactives to combat COVID-19.

    Muralitharan, Dhivyadharshini / Varadharajan, Venkatramanan / Venkidasamy, Baskar

    Journal of molecular recognition : JMR

    2023  Volume 36, Issue 10, Page(s) e3055

    Abstract: COVID-19 was a global pandemic in the year 2020. Several treatment options failed to cure the disease. Thus, plant-based medicines are becoming a trend nowadays due to their less side effects. Bioactive chemicals from natural sources have been utilised ... ...

    Abstract COVID-19 was a global pandemic in the year 2020. Several treatment options failed to cure the disease. Thus, plant-based medicines are becoming a trend nowadays due to their less side effects. Bioactive chemicals from natural sources have been utilised for centuries as treatment options for a variety of ailments. To find out the potent bioactive compounds to counteract COVID-19, we use systems pharmacology and cheminformatics. They use the definitive data and predict the possible outcomes. In this study, we collected a total of 72 phytocompounds from the medicinally important plants such as Garcinia mangostana and Cinnamomum verum, of which 13 potential phytocompounds were identified to be active against the COVID-19 infection based on Swiss Target Prediction and compound target network analysis. These phytocompounds were annotated to identify the specific human receptor that targets COVID-19-specific genes such as MAPK8, MAPK14, ACE, CYP3A4, TLR4 and TYK2. Among these, compounds such as smeathxanthone A, demethylcalabaxanthone, mangostanol, trapezifolixanthone from Garcinia mangostana and camphene from C. verum were putatively target various COVID-19-related genes. Molecular docking results showed that smeathxanthone A and demethylcalabaxanthone exhibit increased binding efficiency towards the COVID-19-related receptor proteins. These compounds also showed efficient putative pharmacoactive properties than the commercial drugs ((R)-remdesivir, favipiravir and hydroxychloroquine) used to cure COVID-19. In conclusion, our study highlights the use of cheminformatics approach to unravel the potent and novel phytocompounds against COVID-19. These phytocompounds may be safer to use, more efficient and less harmful. This study highlights the value of natural products in the search for new drugs and identifies candidates with great promise.
    MeSH term(s) Humans ; Cheminformatics ; Network Pharmacology ; COVID-19 ; Molecular Docking Simulation
    Language English
    Publishing date 2023-09-02
    Publishing country England
    Document type Journal Article
    ZDB-ID 1015084-5
    ISSN 1099-1352 ; 0952-3499
    ISSN (online) 1099-1352
    ISSN 0952-3499
    DOI 10.1002/jmr.3055
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  4. Article ; Online: Inhibition of eosinophil apoptosis by asthma-relevant cytokines from platelets.

    Varadharajan, Venkatramanan

    The Journal of allergy and clinical immunology

    2015  Volume 136, Issue 4, Page(s) 1134

    MeSH term(s) Animals ; Asthma, Aspirin-Induced/drug therapy ; Blood Platelets/drug effects ; Bridged Bicyclo Compounds, Heterocyclic/therapeutic use ; Eosinophils/drug effects ; Humans ; Oxazoles/therapeutic use ; Piperazines/therapeutic use ; Thiophenes/therapeutic use
    Chemical Substances Bridged Bicyclo Compounds, Heterocyclic ; Oxazoles ; Piperazines ; Thiophenes
    Language English
    Publishing date 2015-10
    Publishing country United States
    Document type Letter ; Comment
    ZDB-ID 121011-7
    ISSN 1097-6825 ; 1085-8725 ; 0091-6749
    ISSN (online) 1097-6825 ; 1085-8725
    ISSN 0091-6749
    DOI 10.1016/j.jaci.2015.06.025
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  5. Article ; Online: Exploration of comprehensive marine natural products database against dengue viral non-structural protein 1 using high-throughput computational studies.

    Bhat, Basharat Ahmad / Algaissi, Abdullah / Khamjan, Nizar A / Dar, Tanvir Ul Hassan / Dar, Sajad Ahmad / Varadharajan, Venkatramanan / Qasir, Naif A / Lohani, Mohtashim

    Journal of biomolecular structure & dynamics

    2024  , Page(s) 1–10

    Abstract: Dengue virus (DENV) non-structural protein 1 (NS1) is a versatile quasi-protein essential for the multiplication of the virus. This study applied high-throughput virtual screening (HTVS) and molecular dynamics (MD) simulation to detect the potential ... ...

    Abstract Dengue virus (DENV) non-structural protein 1 (NS1) is a versatile quasi-protein essential for the multiplication of the virus. This study applied high-throughput virtual screening (HTVS) and molecular dynamics (MD) simulation to detect the potential marine natural compounds against the NS1 of DENV. The structure of the NS1 protein was retrieved from Protein Data Bank with (PDB ID: 4O6B). Missing residues were added using modeler software. Molecular operating environment (MOE) programme was used to prepare the protein before docking. Virtual screening was performed on PyRx software to identify natural compounds retrieved from Comprehensive Marine Natural Products Database (CMNPD) against the NS1 protein, and best-docked compounds were examined by molecular docking and molecular dynamic (MD) simulation. Out of 31,561 marine compounds, the top 10 compounds showed docking scores lesser than -8.0 kcal/mol. One of the best hit compounds, CMNPD6802, was further analyzed using MD simulation study at 100 nanoseconds and Molecular Mechanics with Generalized Born and Surface Area Solvation (MM/GBSA). Based on its total binding energy, determined using the MM/GBSA approach, CMNPD6802 was ranked first. Its pharmacokinetic properties concerning the target protein NS1 were also evaluated. The results of the MD simulation showed that CMNPD6802 remained in close contact with the protein throughout the activation period, mapped using principal component analysis. These findings suggest that CMNPD6802 could serve as an NS1 inhibitor and may be a potential candidate for treating DENV infections.Communicated by Ramaswamy H. Sarma.
    Language English
    Publishing date 2024-01-02
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2023.2297006
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  6. Article: Molecular Insights into Abiotic Stresses in Mango.

    Muthuramalingam, Pandiyan / Muthamil, Subramanian / Shilpha, Jayabalan / Venkatramanan, Varadharajan / Priya, Arumugam / Kim, Jinwook / Shin, Yunji / Chen, Jen-Tsung / Baskar, Venkidasamy / Park, Kyoungmi / Shin, Hyunsuk

    Plants (Basel, Switzerland)

    2023  Volume 12, Issue 10

    Abstract: Mango ( ...

    Abstract Mango (
    Language English
    Publishing date 2023-05-09
    Publishing country Switzerland
    Document type Journal Article ; Review
    ZDB-ID 2704341-1
    ISSN 2223-7747
    ISSN 2223-7747
    DOI 10.3390/plants12101939
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  7. Article ; Online: Formulation and validation of probioticated foxtail millet laddu as a source of antioxidant for biological system using response surface methodology.

    Subbaiyan, Rubavathi / Ganesan, Ayyappadasan / Varadharajan, Venkatramanan / Jeyachandran, Philip Robinson / Thangavel, Harini

    Brazilian journal of microbiology : [publication of the Brazilian Society for Microbiology

    2023  Volume 55, Issue 1, Page(s) 647–661

    Abstract: Probiotics play a critical role in supporting a healthy gut microbiome, which significantly impacts overall health and well-being. While there has been an increase in the availability of probiotic foods in recent years, there may still be limited options ...

    Abstract Probiotics play a critical role in supporting a healthy gut microbiome, which significantly impacts overall health and well-being. While there has been an increase in the availability of probiotic foods in recent years, there may still be limited options and accessibility in certain regions. This study focused on formulating a traditional Indian sweet called laddu enriched with millet and Lactobacillus acidophilus. The formulation of laddu ingredients was optimized using Design Expert software to create an optimal product for testing. The probiotic Lactobacillus acidophilus culture was incorporated into the laddu in three forms: lyophilized, microencapsulated powder, and natural curd. The probiotic foxtail laddu was selected based on specific criteria such as color, odor, and texture. The nutritional analysis revealed that the laddu contained approximately 64.46 g of carbohydrates, 15.13 g of protein, and 5.06 g of fat per 100 g of laddu. A microbial count analysis was performed over a two-month storage period to assess the viability of the incorporated Lactobacillus acidophilus. The results showed that the lyophilized and microencapsulated culture demonstrated good viability, with counts of 6.10 ± 0.09 log CFU/g and 7.43 ± 0.02 log CFU/g, respectively, when stored at 4 °C. In comparison, storage at room temperature resulted in counts of 5.41 ± 0.08 log CFU/g and 6.97 ± 0.02 log CFU/g at the end of the storage period. Based on the findings, the probiotic millet laddu developed in this study has the potential to be a value-added food product that can enhance the overall health of consumers. Incorporating probiotics into traditional food items like laddu offers a convenient and enjoyable way to promote gut health and improve the product's nutritional value.
    MeSH term(s) Antioxidants ; Setaria Plant ; Lactobacillus ; Lactobacillus acidophilus ; Probiotics
    Chemical Substances Antioxidants
    Language English
    Publishing date 2023-11-25
    Publishing country Brazil
    Document type Journal Article
    ZDB-ID 2017175-4
    ISSN 1678-4405 ; 1517-8382
    ISSN (online) 1678-4405
    ISSN 1517-8382
    DOI 10.1007/s42770-023-01188-8
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  8. Article ; Online: Isatin-based virtual high throughput screening, molecular docking, DFT, QM/MM, MD and MM-PBSA study of novel inhibitors of SARS-CoV-2 main protease.

    Varadharajan, Venkatramanan / Arumugam, Gokulakrishnan Sivasundari / Shanmugam, Sethupathi

    Journal of biomolecular structure & dynamics

    2021  Volume 40, Issue 17, Page(s) 7852–7867

    Abstract: Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is a rapidly growing health care emergency across the world. One of the viral proteases called main protease or Mpro, plays a crucial role in the ...

    Abstract Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is a rapidly growing health care emergency across the world. One of the viral proteases called main protease or Mpro, plays a crucial role in the replication of SARS-CoV-2. As the structure of Mpro of SARS-CoV-2 is similar to the Mpro of SARS-CoV-1 (responsible for SARS outbreak between 2002 and 2004), we hypothesize that the inhibitors of SARS-CoV-1 Mpro can also inhibit the Mpro of SARS-CoV-2. To test this hypothesis, a total of 79 isatin derivatives, which inhibited Mpro activity under
    MeSH term(s) Humans ; Coronavirus 3C Proteases ; COVID-19 Drug Treatment ; High-Throughput Screening Assays ; Isatin/pharmacology ; Ligands ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Protease Inhibitors/chemistry ; Protease Inhibitors/pharmacology ; SARS-CoV-2 ; Zinc
    Chemical Substances 3C-like proteinase, SARS-CoV-2 (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28) ; Isatin (82X95S7M06) ; Ligands ; Protease Inhibitors ; Zinc (J41CSQ7QDS)
    Language English
    Publishing date 2021-03-25
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2021.1904003
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  9. Article ; Online: Correction

    Minilu Dejene / Hemalatha Palanivel / Heeravathi Senthamarai / Venkatramanan Varadharajan / S. Venkatesa Prabhu / Alazar Yeshitila / Solomon Benor / Shipra Shah

    Applied Biological Chemistry, Vol 66, Iss 1, Pp 1-

    Optimisation of culture conditions for gesho (Rhamnus prinoides.L) callus differentiation using Artificial Neural Network-Genetic Algorithm (ANN-GA) Techniques

    2023  Volume 1

    Keywords Agriculture (General) ; S1-972 ; Chemistry ; QD1-999
    Language English
    Publishing date 2023-10-01T00:00:00Z
    Publisher SpringerOpen
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  10. Article ; Online: Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, molecular docking, and molecular dynamics simulation investigations of novel pyrazolopyranopyrimidine derivatives.

    Ait Elmachkouri, Younesse / Irrou, Ezaddine / Thiruvalluvar, Aravazhi Amalan / Anouar, El Hassane / Varadharajan, Venkatramanan / Ouachtak, Hassan / Mague, Joel T / Sebbar, Nada Kheira / Essassi, El Mokhtar / Labd Taha, Mohamed

    Journal of biomolecular structure & dynamics

    2023  , Page(s) 1–19

    Abstract: A series of new pyrazolopyranopyrimidine derivatives ( ...

    Abstract A series of new pyrazolopyranopyrimidine derivatives (
    Language English
    Publishing date 2023-10-10
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2023.2268187
    Database MEDical Literature Analysis and Retrieval System OnLINE

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