LIVIVO - The Search Portal for Life Sciences

zur deutschen Oberfläche wechseln
Advanced search

Search results

Result 1 - 10 of total 14

Search options

  1. Article: Molecular docking, dynamics and

    Golchha, Nikita Chordia / Abdulhameed Odhar, Hasanain / Nighojkar, Anand / Nighojkar, Sadhana

    Bioinformation

    2024  Volume 20, Issue 1, Page(s) 39–48

    Abstract: The opportunistic pathogen, ...

    Abstract The opportunistic pathogen,
    Language English
    Publishing date 2024-01-31
    Publishing country Singapore
    Document type Journal Article
    ZDB-ID 2203786-X
    ISSN 0973-2063
    ISSN 0973-2063
    DOI 10.6026/973206300200039
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  2. Article: Views on Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease by Dai et al. (2020).

    Odhar, Hasanain Abdulhameed

    Bioinformation

    2020  Volume 16, Issue 5, Page(s) 435–437

    Keywords covid19
    Language English
    Publishing date 2020-05-31
    Publishing country Singapore
    Document type Journal Article
    ZDB-ID 2203786-X
    ISSN 0973-2063
    ISSN 0973-2063
    DOI 10.6026/97320630016435
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  4. Article: Molecular docking analysis and dynamics simulation of salbutamol with the monoamine oxidase B (MAO-B) enzyme.

    Abdulhameed Odhar, Hasanain / Fadhil Hashim, Ahmed / Sami Humad, Suhad

    Bioinformation

    2022  Volume 18, Issue 3, Page(s) 304–309

    Abstract: The monoamine oxidase B (MAO-B) enzyme is linked with Parkinson's disease. Therefore, it is of interest to document the molecular docking analysis and dynamics simulation of salbutamol, a well-known β2-adrenoceptor agonist, with the monoamine oxidase B ( ... ...

    Abstract The monoamine oxidase B (MAO-B) enzyme is linked with Parkinson's disease. Therefore, it is of interest to document the molecular docking analysis and dynamics simulation of salbutamol, a well-known β2-adrenoceptor agonist, with the monoamine oxidase B (MAO-B) enzyme for further consideration in drug design and development.
    Language English
    Publishing date 2022-03-31
    Publishing country Singapore
    Document type Journal Article
    ZDB-ID 2203786-X
    ISSN 0973-2063
    ISSN 0973-2063
    DOI 10.6026/97320630018304
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  5. Article: Molecular docking and dynamics simulation analysis of the human FXIIa with compounds from the Mcule database.

    Odhar, Hasanain Abdulhameed / Hashim, Ahmed Fadhil / Ahjel, Salam Waheed / Humadi, Suhad Sami

    Bioinformation

    2023  Volume 19, Issue 2, Page(s) 160–166

    Abstract: The human factor XIIa is a serine protease enzyme that is implicated in the pathological thrombosis. This coagulation factor represents an interesting molecular target to design safer antithrombotic agents without adversely influencing physiological ... ...

    Abstract The human factor XIIa is a serine protease enzyme that is implicated in the pathological thrombosis. This coagulation factor represents an interesting molecular target to design safer antithrombotic agents without adversely influencing physiological hemostasis. Therefore, it is of interest to virtually screen the human factor XIIa crystal with millions of compounds in Mcule database in order to identify potential inhibitors. For this purpose, both molecular docking and dynamics simulation were employed to identify potential hits. Also, various predictive approaches were utilized to estimate chemical, pharmacokinetics and toxicological features for the top hits. As such, we report here that compound 4 (1-(4-benzylpiperazin-1-yl)-2-[5-(3,5-dimethylpyrazol-1-yl)-1,2,3, 4-tetrazol-2-yl]ethanone) may be a potential ligand against the human factor XIIa for further consideration in the design and development of novel antithrombotic agents.
    Language English
    Publishing date 2023-02-28
    Publishing country Singapore
    Document type Journal Article
    ZDB-ID 2203786-X
    ISSN 0973-2063
    ISSN 0973-2063
    DOI 10.6026/97320630019160
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  6. Article: Molecular docking and dynamics simulation analysis of nucleoprotein from the Crimea-Congo hemorrhagic fever virus strain Baghdad-12 with FDA approved drugs.

    Hashim, Ahmed Fadhil / Odhar, Hasanain Abdulhameed / Ahjel, Salam Waheed

    Bioinformation

    2022  Volume 18, Issue 5, Page(s) 442–449

    Abstract: Crimea-Congo hemorrhagic fever virus is considered a potential public health threat due to the high case fatality ratio of the disease hemorrhagic phase and absence of approved vaccines or antiviral agents. Therefore, it is of interest to screen FDA ... ...

    Abstract Crimea-Congo hemorrhagic fever virus is considered a potential public health threat due to the high case fatality ratio of the disease hemorrhagic phase and absence of approved vaccines or antiviral agents. Therefore, it is of interest to screen FDA approved drugs against the nucleoprotein crystal of Crimea-Congo hemorrhagic fever virus strain Baghdad-12 by using molecular docking and dynamics simulation. Hence, we report that the beta receptor blocker Nebivolol and the antihistamine Loratadine may bind to RNA binding region on nucleoprotein for further consideration in drug design and development.
    Language English
    Publishing date 2022-05-31
    Publishing country Singapore
    Document type Journal Article
    ZDB-ID 2203786-X
    ISSN 0973-2063
    ISSN 0973-2063
    DOI 10.6026/97320630018442
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  7. Article: Design and construction of multi epitope- peptide vaccine candidate for rabies virus.

    Abdulhameed Odhar, Hasanain / Hashim, Ahmed Fadhil / Humadi, Suhad Sami / Ahjel, Salam Waheed

    Bioinformation

    2023  Volume 19, Issue 2, Page(s) 167–177

    Abstract: Rabies virus is a zoonotic pathogen that causes lethal encephalitis with a case fatality rate of almost 100% in unvaccinated individuals. The currently available vaccines against rabies are composed of inactivated viral particles that only confer a short- ...

    Abstract Rabies virus is a zoonotic pathogen that causes lethal encephalitis with a case fatality rate of almost 100% in unvaccinated individuals. The currently available vaccines against rabies are composed of inactivated viral particles that only confer a short-term immune response. It is well-known that the entry of rabies virus into host cells is mediated by a trimeric glycoprotein presents on the surface of viral envelope. As the sole viral surface protein, this trimeric glycoprotein represents a promising molecular target to design new vaccines and neutralizing antibodies against rabies virus. Epitope mapping studies had identified several antigenic sites on the surface of trimeric pre-fusion glycoprotein of rabies virus. Therefore, it is of interest to screen the rabies virus glycoprotein by different web-based immuno-informatics tools to identify potential B-cells and T-cells linear epitopes. Here, we present a construct of peptide vaccine that consists of these predicted linear epitopes of rabies virus glycoprotein together with appropriate linkers and adjuvant. Various online prediction tools, molecular docking and dynamics simulation assume that the vaccine construct may be stable, safe and effective. However, validation of these in-silico results is necessary both in vitro and in vivo setting.
    Language English
    Publishing date 2023-02-28
    Publishing country Singapore
    Document type Journal Article
    ZDB-ID 2203786-X
    ISSN 0973-2063
    ISSN 0973-2063
    DOI 10.6026/97320630019167
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  8. Article: Towards the design of epitope candidates for Coronavirus 2.

    Odhar, Hasanain Abdulhameed / Ahjel, Salam Waheed / Humadi, Suhad Sami

    Bioinformation

    2020  Volume 16, Issue 5, Page(s) 375–386

    Abstract: The severe acute respiratory syndrome coronavirus-2, formerly known as 2019 novel coronavirus, is a pandemic public health threat. This beta coronavirus potentially infects the alveolar cells of the lung leading to pneumonia. The disease may progress ... ...

    Abstract The severe acute respiratory syndrome coronavirus-2, formerly known as 2019 novel coronavirus, is a pandemic public health threat. This beta coronavirus potentially infects the alveolar cells of the lung leading to pneumonia. The disease may progress into acute respiratory distress syndrome especially in elderly patients with comorbidities. Therefore, it is of interest to design and develop candidates for treatment, therapy and prevention. The spike glycoprotein of the virus known to potentially interact with angiotensin converting enzyme 2 as a cell entry receptor is a suitable candidate for further consideration as vaccine and treatment candidate. Hence, we screened the spike protein of coronavirus-2 for potential B-cell and T-cell epitopes for further deliberation. Thus, we document several peptides on the spike protein with predicted high antigenicity, low allergenicity and good stability against selected proteases. The linear B-cell epitope with sequence 'GFNCYFPLQSYGF' is of particular interest in this context towards the design and development of short peptide vaccine candidates for combat and care against the virus.
    Keywords covid19
    Language English
    Publishing date 2020-05-31
    Publishing country Singapore
    Document type Journal Article
    ZDB-ID 2203786-X
    ISSN 0973-2063
    ISSN 0973-2063
    DOI 10.6026/97320630016375
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  9. Book ; Online: Potential Trends for COVID-19 Fighting

    Odhar, Hasanain Abdulhameed / Ahjel, Salam Waheed

    An Immuno-informatics Overview

    2020  

    Abstract: Public health care capacity is currently overwhelmed by pandemic outbreak of coronavirus disease 2019. This respiratory disease is a real threat especially for those elderly people with comorbidities. The disease can progress into acute respiratory ... ...

    Abstract Public health care capacity is currently overwhelmed by pandemic outbreak of coronavirus disease 2019. This respiratory disease is a real threat especially for those elderly people with comorbidities. The disease can progress into acute respiratory distress syndrome which can be fatal. No vaccine or drug had been developed against any human coronaviruses due to cessation of previous epidemics and withdrawal of assigned funds. Currently, humanity is in a real challenge to accelerate the development of effective drug and vaccine against severe acute respiratory syndrome coronavirus 2. Till now, computational approaches have played a substantial role for analysis of viral structure and also development of both drug and vaccine candidates in an accelerated pace. Some of these therapeutic designs have found their way into clinical trials. Here, we will overview different immuno-informatics attempts, targets and ideas as possible trends to counteract coronavirus disease 2019.
    Keywords covid19
    Publisher Center for Open Science
    Publishing country us
    Document type Book ; Online
    DOI 10.31219/osf.io/d63mp
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

    More links

    Kategorien

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

  10. Article: Towards the design of epitope candidates for Coronavirus 2

    Odhar, Hasanain Abdulhameed / Ahjel, Salam Waheed / Humadi, Suhad Sami

    Bioinformation

    Abstract: The severe acute respiratory syndrome coronavirus-2, formerly known as 2019 novel coronavirus, is a pandemic public health threat. This beta coronavirus potentially infects the alveolar cells of the lung leading to pneumonia. The disease may progress ... ...

    Abstract The severe acute respiratory syndrome coronavirus-2, formerly known as 2019 novel coronavirus, is a pandemic public health threat. This beta coronavirus potentially infects the alveolar cells of the lung leading to pneumonia. The disease may progress into acute respiratory distress syndrome especially in elderly patients with comorbidities. Therefore, it is of interest to design and develop candidates for treatment, therapy and prevention. The spike glycoprotein of the virus known to potentially interact with angiotensin converting enzyme 2 as a cell entry receptor is a suitable candidate for further consideration as vaccine and treatment candidate. Hence, we screened the spike protein of coronavirus-2 for potential B-cell and T-cell epitopes for further deliberation. Thus, we document several peptides on the spike protein with predicted high antigenicity, low allergenicity and good stability against selected proteases. The linear B-cell epitope with sequence 'GFNCYFPLQSYGF' is of particular interest in this context towards the design and development of short peptide vaccine candidates for combat and care against the virus.
    Keywords covid19
    Publisher WHO
    Document type Article
    Note WHO #Covidence: #729740
    Database COVID19

    Kategorien

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

To top