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  1. Article ; Online: In Silico Analysis Using SARS-CoV-2 Main Protease and a Set of Phytocompounds to Accelerate the Development of Therapeutic Components against COVID-19

    Sabeena Mustafa / Lamya A. Alomair / Mohamed Hussein

    Processes, Vol 10, Iss 7, p

    2022  Volume 1397

    Abstract: SARS-CoV-2, the virus that caused the widespread COVID-19 pandemic, is homologous to SARS-CoV. It would be ideal to develop antivirals effective against SARS-CoV-2. In this study, we chose one therapeutic target known as the main protease (M pro ) of ... ...

    Abstract SARS-CoV-2, the virus that caused the widespread COVID-19 pandemic, is homologous to SARS-CoV. It would be ideal to develop antivirals effective against SARS-CoV-2. In this study, we chose one therapeutic target known as the main protease (M pro ) of SARS-CoV-2. A crystal structure (Id: 6LU7) from the protein data bank (PDB) was used to accomplish the screening and docking studies. A set of phytocompounds was used for the docking investigation. The nature of the interaction and the interacting residues indicated the molecular properties that are essential for significant affinity. Six compounds were selected, based on the docking as well as the MM-GBSA score. Pentagalloylglucose, Shephagenin, Isoacteoside, Isoquercitrin, Kappa-Carrageenan, and Dolabellin are the six compounds with the lowest binding energies (−12 to −8 kcal/mol) and show significant interactions with the target M pro protein. The MMGBSA scores of these compounds are highly promising, and they should be investigated to determine their potential as M pro inhibitors, beneficial for COVID-19 treatment. In this study, we highlight the crucial role of in silico technologies in the search for novel therapeutic components. Computational biology, combined with structural biology, makes drug discovery studies more rigorous and reliable, and it creates a scenario where researchers can use existing drug components to discover new roles as modulators or inhibitors for various therapeutic targets. This study demonstrated that computational analyses can yield promising findings in the search for potential drug components. This work demonstrated the significance of increasing in silico and wetlab research to generate improved structure-based medicines.
    Keywords drug discovery ; COVID-19 ; main protease ; phytocompounds ; docking ; MMGBSA ; Chemical technology ; TP1-1185 ; Chemistry ; QD1-999
    Subject code 540
    Language English
    Publishing date 2022-07-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Article: Insights Into the Role of Matrix Metalloproteinases in Cancer and its Various Therapeutic Aspects: A Review.

    Mustafa, Sabeena / Koran, Sheeja / AlOmair, Lamya

    Frontiers in molecular biosciences

    2022  Volume 9, Page(s) 896099

    Abstract: Matrix metalloproteinases (MMPs) are zinc-dependent endopeptidases that regulate the turnover of extracellular matrix (ECM) components. Gross and La Piere discovered MMPs in 1962 during an experiment on tissue samples from a tadpole's tail. Several ... ...

    Abstract Matrix metalloproteinases (MMPs) are zinc-dependent endopeptidases that regulate the turnover of extracellular matrix (ECM) components. Gross and La Piere discovered MMPs in 1962 during an experiment on tissue samples from a tadpole's tail. Several subtypes of MMPs have been identified, depending on their substrate specificity and localization. MMPs are involved as essential molecules in multiple and diverse physiological processes, such as reproduction, embryonic development, bone remodeling, tissue repair, and regulation of inflammatory processes. Its activity is controlled at various levels such as at transcription level, pro-peptide activation level and by the activity of a family of tissue inhibitors of metalloproteinase, endogenous inhibitors of MMPs. Cancer metastasis, which is the spread of a tumor to a distant site, is a complex process that is responsible for the majority of cancer-related death It is considered to be an indicator of cancer metastasis. During metastasis, the tumor cells have to invade the blood vessel and degrade the ECM to make a path to new loci in distant places. The degradation of blood vessels and ECM is mediated through the activity of MMPs. Hence, the MMP activity is critical to determining the metastatic potential of a cancer cell. Evasion of apoptosis is one of the hallmarks of cancer that are found to be correlated with the expression of MMPs. As a result, given the importance of MMPs in cancer, we describe the role of these multifunctional enzymes MMPs in various aspects of cancer formation and their rising possibilities as a novel therapeutic target in this review. There is also a brief discussion of various types of therapeutic components and drugs that function against MMPs.
    Language English
    Publishing date 2022-09-29
    Publishing country Switzerland
    Document type Journal Article ; Review
    ZDB-ID 2814330-9
    ISSN 2296-889X
    ISSN 2296-889X
    DOI 10.3389/fmolb.2022.896099
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  3. Article ; Online: Dealing With COVID-19 Pandemic: Key Learnings From Kerala.

    Mustafa, Sabeena / Jayadev, Anishia / Madhavan, Maya

    Asia-Pacific journal of public health

    2020  Volume 32, Issue 6-7, Page(s) 373

    Keywords covid19
    Language English
    Publishing date 2020-07-29
    Publishing country China
    Document type Letter
    ZDB-ID 1025444-4
    ISSN 1941-2479 ; 1010-5395
    ISSN (online) 1941-2479
    ISSN 1010-5395
    DOI 10.1177/1010539520944714
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  4. Article ; Online: En route to Peptide Therapeutics for COVID 19: Harnessing Potential Antigenic Mimicry Between Viral and Human Proteins.

    Madhavan, Maya / Mustafa, Sabeena

    Transactions of the Indian National Academy of Engineering : an international journal of engineering and technology

    2020  Volume 5, Issue 2, Page(s) 411–415

    Abstract: Molecular mimicry is a general strategy used by pathogens to infect the host cells. The emergence of SARS-CoV-2 virus has resulted in more than 6,700,000 infections and 390,000 deaths worldwide. Coronavirus disease (COVID-19) is an infectious disease ... ...

    Abstract Molecular mimicry is a general strategy used by pathogens to infect the host cells. The emergence of SARS-CoV-2 virus has resulted in more than 6,700,000 infections and 390,000 deaths worldwide. Coronavirus disease (COVID-19) is an infectious disease caused by this virus. In this project concept, we aim to focus on the peptide-protein interaction analysis using two important drug targets in SARS-CoV-2 such as spike (S) protein and nucleocapsid (N) protein. These proteins play an important role in the virus entry and encapsidation of the viral particles. Motifs or functional regions in these two proteins must be sharing sequence homology with human protein (ACE2) which may be involved in the binding mechanism. The results will show a set of motif regions which can disrupt the viral infection. Once we identify these sets of antigenic determinant regions, antibody binding activity studies can be performed by in vitro methods. Our results from this study may suggest the existence of antigenic mimicry between SARS-CoV-2 and host proteins. The hit peptide components will have therapeutic applications to be developed into a wide variety of medicinal formulations against SARS-CoV-2 such as vaccine, intranasal and inhalation formulations. Also, the choice of conserved regions will lead to development of cross protective therapeutics against wide range of coronaviruses.
    Language English
    Publishing date 2020-06-21
    Publishing country Singapore
    Document type Journal Article
    ISSN 2662-5423
    ISSN (online) 2662-5423
    DOI 10.1007/s41403-020-00132-8
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  5. Article ; Online: En route to Peptide Therapeutics for COVID 19

    Madhavan, Maya / Mustafa, Sabeena

    Transactions of the Indian National Academy of Engineering

    Harnessing Potential Antigenic Mimicry Between Viral and Human Proteins

    2020  Volume 5, Issue 2, Page(s) 411–415

    Keywords covid19
    Language English
    Publisher Springer Science and Business Media LLC
    Publishing country us
    Document type Article ; Online
    ISSN 2662-5415
    DOI 10.1007/s41403-020-00132-8
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article ; Online: Exploring peptide studies related to SARS-CoV to accelerate the development of novel therapeutic and prophylactic solutions against COVID-19

    Maya Madhavan / Lamya A. AlOmair / Deepthi KS / Sabeena Mustafa

    Journal of Infection and Public Health, Vol 14, Iss 8, Pp 1106-

    2021  Volume 1119

    Abstract: Recent advances in peptide research revolutionized therapeutic discoveries for various infectious diseases. In view of the ongoing threat of the COVID-19 pandemic, there is an urgent need to develop potential therapeutic options. Intense and ... ...

    Abstract Recent advances in peptide research revolutionized therapeutic discoveries for various infectious diseases. In view of the ongoing threat of the COVID-19 pandemic, there is an urgent need to develop potential therapeutic options. Intense and accomplishing research is being carried out to develop broad-spectrum vaccines and treatment options for corona viruses, due to the risk of recurrent infection by the existing strains or pandemic outbreaks by new mutant strains. Developing a novel medicine is costly and time consuming, which increases the value of repurposing existing therapies. Since, SARS-CoV-2 shares significant genomic homology with SARS-CoV, we have summarized various peptides identified against SARS-CoV using in silico and molecular studies and also the peptides effective against SARS-CoV-2. Dissecting the molecular mechanisms underlying viral infection could yield fundamental insights in the discovery of new antiviral agents, targeting viral proteins or host factors. We postulate that these peptides can serve as effective components for therapeutic options against SARS-CoV-2, supporting clinical scientists globally in selectively identifying and testing the therapeutic and prophylactic agents for COVID-19 treatment. In addition, we also summarized the latest updates on peptide therapeutics against SARS-CoV-2.
    Keywords SARS-CoV-2 ; Spike protein ; Viral entry ; Peptide therapeutics ; Immune system ; Infectious and parasitic diseases ; RC109-216 ; Public aspects of medicine ; RA1-1270
    Subject code 610
    Language English
    Publishing date 2021-08-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  8. Article ; Online: Exploring peptide studies related to SARS-CoV to accelerate the development of novel therapeutic and prophylactic solutions against COVID-19.

    Madhavan, Maya / AlOmair, Lamya A / Ks, Deepthi / Mustafa, Sabeena

    Journal of infection and public health

    2021  Volume 14, Issue 8, Page(s) 1106–1119

    Abstract: Recent advances in peptide research revolutionized therapeutic discoveries for various infectious diseases. In view of the ongoing threat of the COVID-19 pandemic, there is an urgent need to develop potential therapeutic options. Intense and ... ...

    Abstract Recent advances in peptide research revolutionized therapeutic discoveries for various infectious diseases. In view of the ongoing threat of the COVID-19 pandemic, there is an urgent need to develop potential therapeutic options. Intense and accomplishing research is being carried out to develop broad-spectrum vaccines and treatment options for corona viruses, due to the risk of recurrent infection by the existing strains or pandemic outbreaks by new mutant strains. Developing a novel medicine is costly and time consuming, which increases the value of repurposing existing therapies. Since, SARS-CoV-2 shares significant genomic homology with SARS-CoV, we have summarized various peptides identified against SARS-CoV using in silico and molecular studies and also the peptides effective against SARS-CoV-2. Dissecting the molecular mechanisms underlying viral infection could yield fundamental insights in the discovery of new antiviral agents, targeting viral proteins or host factors. We postulate that these peptides can serve as effective components for therapeutic options against SARS-CoV-2, supporting clinical scientists globally in selectively identifying and testing the therapeutic and prophylactic agents for COVID-19 treatment. In addition, we also summarized the latest updates on peptide therapeutics against SARS-CoV-2.
    MeSH term(s) Antiviral Agents/therapeutic use ; Humans ; Pandemics ; Peptides ; SARS-CoV-2 ; COVID-19 Drug Treatment
    Chemical Substances Antiviral Agents ; Peptides
    Language English
    Publishing date 2021-07-03
    Publishing country England
    Document type Journal Article ; Review
    ZDB-ID 2467587-8
    ISSN 1876-035X ; 1876-0341
    ISSN (online) 1876-035X
    ISSN 1876-0341
    DOI 10.1016/j.jiph.2021.06.017
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  9. Article ; Online: COVID-19: Need for Equitable and Inclusive Pandemic Response Framework.

    Mustafa, Sabeena / Jayadev, Anishia / Madhavan, Maya

    International journal of health services : planning, administration, evaluation

    2020  Volume 51, Issue 1, Page(s) 101–106

    Abstract: When a new infectious disease emerges as an epidemic or pandemic, strict and appropriate mitigation strategies are critical. Appropriate steps that facilitate defining of cases, carrying out accurate clinical diagnoses, and forming a powerful health ... ...

    Abstract When a new infectious disease emerges as an epidemic or pandemic, strict and appropriate mitigation strategies are critical. Appropriate steps that facilitate defining of cases, carrying out accurate clinical diagnoses, and forming a powerful health surveillance that addresses public health policies and procedures are necessary. Tracking the number of COVID-19 cases over time and flattening the curve is another important element to establish research settings and identify therapeutic components to expedite and develop effective interventions. Addressing the various sections of the society in a philanthropic way is crucial to acquiring the public cooperation that is essential to controlling a disease like COVID-19. In this study, we discuss various strategies and measures adopted by Kerala, an Indian state, to combat the COVID-19 outbreak. Regular and timely updates by government public relations and health departments were used in many of the adopted strategies. The engagement of health information systems, together with the application of decentralized governance and community engagement, has contributed to effective population health management and surveillance of the pandemic.
    MeSH term(s) COVID-19/epidemiology ; COVID-19/prevention & control ; Communicable Disease Control/standards ; Government ; Health Information Management/standards ; Health Policy ; Humans ; India/epidemiology ; Pandemics/prevention & control ; Pneumonia, Viral/epidemiology ; Pneumonia, Viral/prevention & control ; Population Surveillance/methods ; SARS-CoV-2
    Keywords covid19
    Language English
    Publishing date 2020-10-19
    Publishing country United States
    Document type Journal Article
    ZDB-ID 184936-0
    ISSN 1541-4469 ; 0020-7314
    ISSN (online) 1541-4469
    ISSN 0020-7314
    DOI 10.1177/0020731420967630
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  10. Article ; Online: Dealing With COVID-19 Pandemic

    Mustafa, Sabeena / Jayadev, Anishia / Madhavan, Maya

    Asia Pacific Journal of Public Health

    Key Learnings From Kerala

    2020  Volume 32, Issue 6-7, Page(s) 373–373

    Keywords Public Health, Environmental and Occupational Health ; covid19
    Language English
    Publisher SAGE Publications
    Publishing country us
    Document type Article ; Online
    ZDB-ID 1025444-4
    ISSN 1010-5395
    ISSN 1010-5395
    DOI 10.1177/1010539520944714
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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    In stock of ZB MED Cologne/Königswinter

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    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
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    ab Jg. 2022: Lesesaal (EG)

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