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  1. Article ; Online: Identification of a novel drug molecule for neurodegenerative disease from marine algae through

    Dhanabalan, Anantha Krishnan / Kumar, Praveen / Vasudevan, Saranya / Chworos, Arkadiusz / Velmurugan, Devadasan

    Journal of biomolecular structure & dynamics

    2024  , Page(s) 1–10

    Abstract: ... alkaloids. They also contain a high amount of vitamins A, D, E, C and Ca, K, Mg and Fe. Regular consumption ...

    Abstract Cognitive functions are lost due to the rapid hydrolysis of acetylcholine including Acetylcholinesterase (AChE) and Butyrylcholinesterase (BChE). Marine algae-derived compounds were reported for their neuroprotective activities and hence they can be utilised for treating neurodegenerative ailments like Alzheimer's Disease and Parkinson's Disease which are due to the loss of cognitive functions. Major attention is currently paid to seaweeds due to their health benefits and high nutritional values. Sea weeds are of a rich sense of natural bioactive compounds which antioxidants, pharmaceutical compounds, flavonoids and alkaloids. They also contain a high amount of vitamins A, D, E, C and Ca, K, Mg and Fe. Regular consumption of a marine algae-based diet may boost immunities. In searching for natural cholinesterase inhibitors, the present study is focussed on some marine bioactive compounds reported from brown, red and green algae. Molecular docking studies have been carried out along with molecular dynamics simulations studies and binding energy calculations resulting in three best bioactive compounds when AChE is used as the target. The results are compared with cocrystal studies. Two best compounds, namely, Diphlorethohydroxycarmalol and Phlorofucofuroeckol from the brown seaweeds are identified as the potential lead compounds for neurodegenerative diseases, Alzheimer's and Parkinson's.Communicated by Ramaswamy H. Sarma.
    Language English
    Publishing date 2024-03-08
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2024.2322624
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    Zs.A 2093: Show issues Location:
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  2. Article ; Online: Isolation and characterization of an iridoid, Arbortristoside-C from

    Vajravijayan, S / Nandhagopal, N / Anantha Krishnan, D / Gunasekaran, K

    Journal of biomolecular structure & dynamics

    2020  Volume 40, Issue 1, Page(s) 337–347

    Abstract: Many parts of the ... ...

    Abstract Many parts of the plant
    MeSH term(s) Animals ; Cattle ; Diabetes Mellitus ; Iridoids ; Oleaceae ; Plant Extracts ; alpha-Glucosidases
    Chemical Substances Iridoids ; Plant Extracts ; alpha-Glucosidases (EC 3.2.1.20)
    Language English
    Publishing date 2020-09-01
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2020.1813201
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article: Structure-based drug designing towards the identification of potential anti-viral for COVID-19 by targeting endoribonuclease NSP15.

    Krishnan, D Anantha / Sangeetha, G / Vajravijayan, S / Nandhagopal, N / Gunasekaran, K

    Informatics in medicine unlocked

    2020  Volume 20, Page(s) 100392

    Abstract: The world is facing health and economic havoc due to the Corona Virus Disease-2019 (COVID-19) pandemic. Given the number of affected people and the mortality rate, the virus is undoubtedly a serious threat to humanity. By analogy with earlier reports ... ...

    Abstract The world is facing health and economic havoc due to the Corona Virus Disease-2019 (COVID-19) pandemic. Given the number of affected people and the mortality rate, the virus is undoubtedly a serious threat to humanity. By analogy with earlier reports about Severe Acute Respiratory Syndrome (SARS-CoV) and Middle East Respiratory Syndrome (MERS-CoV) - viruses, the novel Coronavirus' replication mechanism is likely well understood. The structure of an endoribonuclease (NSP15) of SARS-CoV-2 was reported recently. This enzyme is expected to play a crucial role in replication. In this work, attempts were made to identify inhibitors of this enzyme. To achieve the goal, high throughput
    Keywords covid19
    Language English
    Publishing date 2020-07-11
    Publishing country England
    Document type Journal Article
    ISSN 2352-9148
    ISSN 2352-9148
    DOI 10.1016/j.imu.2020.100392
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Statins Induce Locomotion and Muscular Phenotypes in

    Al-Sabri, Mohamed H / Behare, Neha / Alsehli, Ahmed M / Berkins, Samuel / Arora, Aadeya / Antoniou, Eirini / Moysiadou, Eleni I / Anantha-Krishnan, Sowmya / Cosmen, Patricia D / Vikner, Johanna / Moulin, Thiago C / Ammar, Nourhene / Boukhatmi, Hadi / Clemensson, Laura E / Rask-Andersen, Mathias / Mwinyi, Jessica / Williams, Michael J / Fredriksson, Robert / Schiöth, Helgi B

    Cells

    2022  Volume 11, Issue 22

    Abstract: The underlying mechanisms for statin-induced myopathy (SIM) are still equivocal. In this study, we ... ...

    Abstract The underlying mechanisms for statin-induced myopathy (SIM) are still equivocal. In this study, we employ
    MeSH term(s) Animals ; Humans ; Drosophila melanogaster/metabolism ; Hydroxymethylglutaryl-CoA Reductase Inhibitors/adverse effects ; Chloride Channels/metabolism ; Fluvastatin/adverse effects ; Muscular Diseases/genetics ; Drosophila/metabolism ; Locomotion ; Phenotype
    Chemical Substances Hydroxymethylglutaryl-CoA Reductase Inhibitors ; Chloride Channels ; Fluvastatin (4L066368AS)
    Language English
    Publishing date 2022-11-08
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2661518-6
    ISSN 2073-4409 ; 2073-4409
    ISSN (online) 2073-4409
    ISSN 2073-4409
    DOI 10.3390/cells11223528
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Structure-based drug designing towards the identification of potential anti-viral for COVID-19 by targeting endoribonuclease NSP15

    D. Anantha Krishnan / G. Sangeetha / S. Vajravijayan / N. Nandhagopal / K. Gunasekaran

    Informatics in Medicine Unlocked, Vol 20, Iss , Pp 100392- (2020)

    2020  

    Abstract: The world is facing health and economic havoc due to the Corona Virus Disease-2019 (COVID-19) pandemic. Given the number of affected people and the mortality rate, the virus is undoubtedly a serious threat to humanity. By analogy with earlier reports ... ...

    Abstract The world is facing health and economic havoc due to the Corona Virus Disease-2019 (COVID-19) pandemic. Given the number of affected people and the mortality rate, the virus is undoubtedly a serious threat to humanity. By analogy with earlier reports about Severe Acute Respiratory Syndrome (SARS-CoV) and Middle East Respiratory Syndrome (MERS-CoV) - viruses, the novel Coronavirus’ replication mechanism is likely well understood. The structure of an endoribonuclease (NSP15) of SARS-CoV-2 was reported recently. This enzyme is expected to play a crucial role in replication. In this work, attempts were made to identify inhibitors of this enzyme. To achieve the goal, high throughput in silico screening and molecular docking procedures were performed. From an Enamine database of a billion compounds, 3978 compounds with potential antiviral activity were selected for screening and induced fit docking that funneled down to eight compounds with good docking score and docking energy. Detailed analysis of non-covalent interactions at the active site and the apparent match of the molecule with the shape of the binding pocket were assessed. All the compounds show significant interactions for tight binding. Since all the compounds are synthetic with favorable drug-like properties, these may be considered for immediate optimization and downstream applications.
    Keywords Endoribonuclease ; Coronavirus ; COVID-19 ; NSP15 inhibitors ; Computer applications to medicine. Medical informatics ; R858-859.7 ; covid19
    Subject code 540
    Language English
    Publishing date 2020-01-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

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  6. Article ; Online: Structure-based drug designing towards the identification of potential anti-viral for COVID-19 by targeting endoribonuclease NSP15

    Krishnan, D. Anantha / Sangeetha, G. / Vajravijayan, S. / Nandhagopal, N. / Gunasekaran, K.

    Informatics in Medicine Unlocked

    2020  Volume 20, Page(s) 100392

    Keywords covid19
    Language English
    Publisher Elsevier BV
    Publishing country us
    Document type Article ; Online
    ISSN 2352-9148
    DOI 10.1016/j.imu.2020.100392
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article: Ergonomic evaluation of conventional agricultural sprayers with respect to human performance

    Tamilselvi, P / Krishnan, D. Anantha

    Agricultural science digest. 2016 Sept., v. 36, no. 3

    2016  

    Abstract: Ergonomic intervention in spraying operation can provide a reasonable basis for recommendation on operating methods and improvement in operation for more output and safety. Two commercially available sprayers namely knapsack sprayer and rocker sprayer ... ...

    Abstract Ergonomic intervention in spraying operation can provide a reasonable basis for recommendation on operating methods and improvement in operation for more output and safety. Two commercially available sprayers namely knapsack sprayer and rocker sprayer were evaluated with nine male subjects for the study. Age, weight and height of the selected subjects are 30.33±1.93 years, 68.33±9.51 kg and 168.51±5.55 cm respectively. The major operational parameters including pressure and lever arm distance of the sprayers were selected and optimized based on human performance. Heart beat rate and operating energy requirement for ergo refined knapsack and rocker arm sprayers were observed as 93–120 beats per minute, 97–120 beats per minute, and 18.86- 24.31 KJ min⁻¹, 19.27–25.54 KJ min⁻¹ respectively. The field evaluation results showed that ergo refined knapsack sprayer and ergo refined rocker sprayer reduced the energy expenditure by 7% and 8%, oxygen consumption as percentage of VO₂ max by19% and 23%, “HR results gave a reduction of 22% and 23%, ODR results gave a reduction by 4% and 5% and BPDS score indicated a reduction of 13% to 12% respectively from the conventional sprayers. The above results confirmed that the ergo refined sprayers provided better comfort and efficiency to the operator.
    Keywords agricultural sciences ; energy expenditure ; ergonomics ; heart rate ; humans ; males ; oxygen consumption ; sprayers
    Language English
    Dates of publication 2016-09
    Size p. 179-184.
    Publishing place Agricultural Research Communication Centre
    Document type Article
    Note NAL-AP-2-clean
    ISSN 0976-0547
    DOI 10.18805/asd.v36i3.11443
    Database NAL-Catalogue (AGRICOLA)

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  8. Article ; Online: Fucoidan serves a neuroprotective effect in an Alzheimer's disease model.

    Subaraja, Mamangam / Anantha Krishnan, Dhanabalan / Edwin Hillary, Varghese / William Raja, Tharsius Raja / Mathew, Pratheesh / Ravikumar, Sundaram / Gabriel Paulraj, Michael / Ignacimuthu, Savarimuthu

    Frontiers in bioscience (Elite edition)

    2020  Volume 12, Issue 1, Page(s) 1–34

    Abstract: ... Together, the findings show that fucoidan serves a neuroprotective effect in Alzheimer's disease model in D ...

    Abstract Alzheimer's disease (AD) is a progressive neurodegenerative disorder that causes memory and cognitive deficits. The present study was carried out to evaluate the protective effects of fucoidan in monocrotophos induced AD in Drosophila melanogaster. In silico studies showed that fucoidan exhibited binding energy of -9.3 kcal with proteins. Consistent with this, fucoidan, in a dose and time-dependent fashion, had inhibitory activity against cholinergic and monoamine-metabolized enzymes in vitro. Fucoidan inhibited the increase in total mRNA and protein in monocrotophos fed flies and prevented changes in biochemicals, neurochemicals and latency time of locomotor, learning and memory induced by monocrotophos. Together, the findings show that fucoidan serves a neuroprotective effect in Alzheimer's disease model in D. melanogaster.
    MeSH term(s) Alzheimer Disease/drug therapy ; Animals ; Brain/drug effects ; Brain/metabolism ; Computer Simulation ; Disease Models, Animal ; Drosophila melanogaster ; Drug Evaluation, Preclinical ; Maze Learning/drug effects ; Molecular Docking Simulation ; Monocrotophos ; Neuroprotective Agents/pharmacology ; Neuroprotective Agents/therapeutic use ; Neurotransmitter Agents/metabolism ; PC12 Cells ; Polysaccharides/pharmacology ; Polysaccharides/therapeutic use ; Rats
    Chemical Substances Neuroprotective Agents ; Neurotransmitter Agents ; Polysaccharides ; Monocrotophos (6923-22-4) ; fucoidan (9072-19-9)
    Language English
    Publishing date 2020-01-01
    Publishing country Singapore
    Document type Journal Article
    ZDB-ID 2565080-4
    ISSN 1945-0508 ; 1945-0494
    ISSN (online) 1945-0508
    ISSN 1945-0494
    DOI 10.2741/E855
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    Zs.A 6871: Show issues Location:
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  9. Article: Inferring Recombination Events in SARS-CoV-2 Variants In Silico.

    Najeeb, Nihal / Murukan, Aparna B / Renjitha, Anagha / Jayaram, Malavika / Jabbar, Ayisha A / Haridasan, Haripriya / Prijikumar, Akshara / Baiju, Sneha / Nixon, Adrial Ann / Krishnan, Ponnambil Anantha / Rodriguez, Sunu / Kumar, Somesh / Polipalli, Sunil K / Singh, Keshav K / Nair, Bipin G / Ghate, Sudeep D / Rao, R Shyama Prasad / Kishor, Polavarapu Bilhan Kavi / Aloor, Arya /
    Suravajhala, Renuka / Chaubey, Gyaneshwer / Suravajhala, Prashanth

    Advances in experimental medicine and biology

    2023  Volume 1412, Page(s) 253–270

    Abstract: Over the last 34 months, at least 10 severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2) distinct variants have evolved. Among these, some were more infectious while others were not. These variants may serve as candidates for identification of ... ...

    Abstract Over the last 34 months, at least 10 severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2) distinct variants have evolved. Among these, some were more infectious while others were not. These variants may serve as candidates for identification of the signature sequences linked to infectivity and viral transgressions. Based on our previous hijacking and transgression hypothesis, we aimed to investigate whether SARS-CoV-2 sequences associated with infectivity and trespassing of long noncoding RNAs (lncRNAs) provide a possible recombination mechanism to drive the formation of new variants. This work involved a sequence and structure-based approach to screen SARS-CoV-2 variants in silico, taking into account effects of glycosylation and links to known lncRNAs. Taken together, the findings suggest that transgressions involving lncRNAs may be linked with changes in SARS-CoV-2-host interactions driven by glycosylation events.
    MeSH term(s) Humans ; SARS-CoV-2/genetics ; COVID-19/genetics ; RNA, Long Noncoding ; Recombination, Genetic
    Chemical Substances RNA, Long Noncoding
    Language English
    Publishing date 2023-06-28
    Publishing country United States
    Document type Journal Article
    ISSN 2214-8019 ; 0065-2598
    ISSN (online) 2214-8019
    ISSN 0065-2598
    DOI 10.1007/978-3-031-28012-2_14
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article: Structure-based drug designing towards the identification of potential anti-viral for COVID-19 by targeting endoribonuclease NSP15

    Krishnan, D. Anantha / Sangeetha, G. / Vajravijayan, S. / Nandhagopal, N. / Gunasekaran, K.

    Inform. Med. Unlocked

    Abstract: The world is facing health and economic havoc due to the Corona Virus Disease-2019 (COVID-19) pandemic. Given the number of affected people and the mortality rate, the virus is undoubtedly a serious threat to humanity. By analogy with earlier reports ... ...

    Abstract The world is facing health and economic havoc due to the Corona Virus Disease-2019 (COVID-19) pandemic. Given the number of affected people and the mortality rate, the virus is undoubtedly a serious threat to humanity. By analogy with earlier reports about Severe Acute Respiratory Syndrome (SARS-CoV) and Middle East Respiratory Syndrome (MERS-CoV) - viruses, the novel Coronavirus’ replication mechanism is likely well understood. The structure of an endoribonuclease (NSP15) of SARS-CoV-2 was reported recently. This enzyme is expected to play a crucial role in replication. In this work, attempts were made to identify inhibitors of this enzyme. To achieve the goal, high throughput in silico screening and molecular docking procedures were performed. From an Enamine database of a billion compounds, 3978 compounds with potential antiviral activity were selected for screening and induced fit docking that funneled down to eight compounds with good docking score and docking energy. Detailed analysis of non-covalent interactions at the active site and the apparent match of the molecule with the shape of the binding pocket were assessed. All the compounds show significant interactions for tight binding. Since all the compounds are synthetic with favorable drug-like properties, these may be considered for immediate optimization and downstream applications.
    Keywords covid19
    Publisher WHO
    Document type Article
    Note WHO #Covidence: #640361
    Database COVID19

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