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  1. Article: Phytochemical profiling of antimicrobial and potential antioxidant plant:

    Nadeem, Ali / Shahzad, Hira / Ahmed, Bashir / Muntean, Tudor / Waseem, Maaz / Tabassum, Aisha

    Frontiers in plant science

    2022  Volume 13, Page(s) 969316

    Abstract: Traditional and phytochemical studies have confirmed the richness and diversity of medicinal plants such ... ...

    Abstract Traditional and phytochemical studies have confirmed the richness and diversity of medicinal plants such as
    Language English
    Publishing date 2022-09-26
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2613694-6
    ISSN 1664-462X
    ISSN 1664-462X
    DOI 10.3389/fpls.2022.969316
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Molecular Docking and Molecular Dynamics Studies Reveal Secretory Proteins as Novel Targets of Temozolomide in Glioblastoma Multiforme.

    Sumera / Anwer, Farha / Waseem, Maaz / Fatima, Areeba / Malik, Nishat / Ali, Amjad / Zahid, Saadia

    Molecules (Basel, Switzerland)

    2022  Volume 27, Issue 21

    Abstract: Glioblastoma multiforme (GBM) is a tumor of glial origin and is the most malignant, aggressive and prevalent type, with the highest mortality rate in adult brain cancer. Surgical resection of the tumor followed by Temozolomide (TMZ) therapy is currently ... ...

    Abstract Glioblastoma multiforme (GBM) is a tumor of glial origin and is the most malignant, aggressive and prevalent type, with the highest mortality rate in adult brain cancer. Surgical resection of the tumor followed by Temozolomide (TMZ) therapy is currently available, but the development of resistance to TMZ is a common limiting factor in effective treatment. The present study investigated the potential interactions of TMZ with several secretory proteins involved in various molecular and cellular processes in GBM. Automated docking studies were performed using AutoDock 4.2, which showed an encouraging binding affinity of TMZ towards all targeted proteins, with the strongest interaction and binding affinity with GDF1 and SLIT1, followed by NPTX1, CREG2 and SERPINI, among the selected proteins. Molecular dynamics (MD) simulations of protein-ligand complexes were performed via CABS-flex V2.0 and the iMOD server to evaluate the root-mean-square fluctuations (RMSFs) and measure protein stability, respectively. The results showed that docked models were more flexible and stable with TMZ, suggesting that it may be able to target putative proteins implicated in gliomagenesis that may impact radioresistance. However, additional in vitro and in vivo investigations can ascertain the potential of the selected proteins to serve as novel targets for TMZ for GBM treatment.
    MeSH term(s) Humans ; Temozolomide/pharmacology ; Glioblastoma/metabolism ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Antineoplastic Agents, Alkylating/pharmacology ; Antineoplastic Agents, Alkylating/therapeutic use ; Cell Line, Tumor ; Drug Resistance, Neoplasm ; Brain Neoplasms/pathology ; Repressor Proteins/metabolism
    Chemical Substances Temozolomide (YF1K15M17Y) ; Antineoplastic Agents, Alkylating ; CREG2 protein, human ; Repressor Proteins
    Language English
    Publishing date 2022-10-24
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules27217198
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.MO 81: Show issues

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  3. Article ; Online: Immunoinformatics aided designing of a next generation poly-epitope vaccine against uropathogenic

    Ishaq, Zaara / Zaheer, Tahreem / Waseem, Maaz / Shahwar Awan, Hayeqa / Ullah, Nimat / AlAsmari, Abdullah F / AlAsmari, Fawaz / Ali, Amjad

    Journal of biomolecular structure & dynamics

    2023  , Page(s) 1–21

    Abstract: Urinary tract infections (UTIs) are the second most prevalent bacterial infections and ... ...

    Abstract Urinary tract infections (UTIs) are the second most prevalent bacterial infections and uropathogenic
    Language English
    Publishing date 2023-10-09
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2023.2266018
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 2093: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

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  4. Article ; Online: Exploring optimal drug targets through subtractive proteomics analysis and pangenomic insights for tailored drug design in tuberculosis.

    Khan, Muhammad Fayaz / Ali, Amjad / Rehman, Hafiz Muzzammel / Noor Khan, Sadiq / Hammad, Hafiz Muhammad / Waseem, Maaz / Wu, Yurong / Clark, Taane G / Jabbar, Abdul

    Scientific reports

    2024  Volume 14, Issue 1, Page(s) 10904

    Abstract: Tuberculosis (TB), caused by Mycobacterium tuberculosis, ranks among the top causes of global human mortality, as reported by the World Health Organization's 2022 TB report. The prevalence of M. tuberculosis strains that are multiple and extensive-drug ... ...

    Abstract Tuberculosis (TB), caused by Mycobacterium tuberculosis, ranks among the top causes of global human mortality, as reported by the World Health Organization's 2022 TB report. The prevalence of M. tuberculosis strains that are multiple and extensive-drug resistant represents a significant barrier to TB eradication. Fortunately, having many completely sequenced M. tuberculosis genomes available has made it possible to investigate the species pangenome, conduct a pan-phylogenetic investigation, and find potential new drug targets. The 442 complete genome dataset was used to estimate the pangenome of M. tuberculosis. This study involved phylogenomic classification and in-depth analyses. Sequential filters were applied to the conserved core genome containing 2754 proteins. These filters assessed non-human homology, virulence, essentiality, physiochemical properties, and pathway analysis. Through these intensive filtering approaches, promising broad-spectrum therapeutic targets were identified. These targets were docked with FDA-approved compounds readily available on the ZINC database. Selected highly ranked ligands with inhibitory potential include dihydroergotamine and abiraterone acetate. The effectiveness of the ligands has been supported by molecular dynamics simulation of the ligand-protein complexes, instilling optimism that the identified lead compounds may serve as a robust basis for the development of safe and efficient drugs for TB treatment, subject to further lead optimization and subsequent experimental validation.
    MeSH term(s) Mycobacterium tuberculosis/drug effects ; Mycobacterium tuberculosis/genetics ; Mycobacterium tuberculosis/metabolism ; Antitubercular Agents/pharmacology ; Humans ; Drug Design ; Tuberculosis/drug therapy ; Tuberculosis/microbiology ; Proteomics/methods ; Genome, Bacterial ; Bacterial Proteins/genetics ; Bacterial Proteins/metabolism ; Phylogeny ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Genomics/methods
    Chemical Substances Antitubercular Agents ; Bacterial Proteins
    Language English
    Publishing date 2024-05-13
    Publishing country England
    Document type Journal Article
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/s41598-024-61752-6
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article: Anti-COVID-19 multi-epitope vaccine designs employing global viral genome sequences.

    Zaheer, Tahreem / Waseem, Maaz / Waqar, Walifa / Dar, Hamza Arshad / Shehroz, Muhammad / Naz, Kanwal / Ishaq, Zaara / Ahmad, Tahir / Ullah, Nimat / Bakhtiar, Syeda Marriam / Muhammad, Syed Aun / Ali, Amjad

    PeerJ

    2020  Volume 8, Page(s) e9541

    Abstract: Background: The coronavirus SARS-CoV-2 is a member of the Coronaviridae family that has caused a global public health emergency. Currently, there is no approved treatment or vaccine available against it. The current study aimed to cover the diversity of ...

    Abstract Background: The coronavirus SARS-CoV-2 is a member of the Coronaviridae family that has caused a global public health emergency. Currently, there is no approved treatment or vaccine available against it. The current study aimed to cover the diversity of SARS-CoV-2 strains reported from all over the world and to design a broad-spectrum multi-epitope vaccine using an immunoinformatics approach.
    Methods: For this purpose, all available complete genomes were retrieved from GISAID and NGDC followed by genome multiple alignments to develop a global consensus sequence to compare with the reference genome. Fortunately, comparative genomics and phylogeny revealed a significantly high level of conservation between the viral strains. All the Open Reading Frames (ORFs) of the reference sequence NC_045512.2 were subjected to epitope mapping using CTLpred and HLApred, respectively. The predicted CTL epitopes were then screened for antigenicity, immunogenicity and strong binding affinity with HLA superfamily alleles. HTL predicted epitopes were screened for antigenicity, interferon induction potential, overlapping B cell epitopes and strong HLA DR binding potential. The shortlisted epitopes were arranged into two multi-epitope sequences, Cov-I-Vac and Cov-II-Vac, and molecular docking was performed with Toll-Like Receptor 8 (TLR8).
    Results: The designed multi-epitopes were found to be antigenic and non-allergenic. Both multi-epitopes were stable and predicted to be soluble in an
    Keywords covid19
    Language English
    Publishing date 2020-08-03
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2703241-3
    ISSN 2167-8359
    ISSN 2167-8359
    DOI 10.7717/peerj.9541
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Anti-COVID-19 multi-epitope vaccine designs employing global viral genome sequences

    Zaheer, Tahreem / Waseem, Maaz / Waqar, Walifa / Dar, Hamza Arshad / Shehroz, Muhammad / Naz, Kanwal / Ishaq, Zaara / Ahmad, Tahir / Ullah, Nimat / Bakhtiar, Syeda Marriam / Muhammad, Syed Aun / Ali, Amjad

    PeerJ

    2020  Volume 8, Page(s) e9541

    Abstract: Background The coronavirus SARS-CoV-2 is a member of the Coronaviridae family that has caused a global public health emergency. Currently, there is no approved treatment or vaccine available against it. The current study aimed to cover the diversity of ... ...

    Abstract Background The coronavirus SARS-CoV-2 is a member of the Coronaviridae family that has caused a global public health emergency. Currently, there is no approved treatment or vaccine available against it. The current study aimed to cover the diversity of SARS-CoV-2 strains reported from all over the world and to design a broad-spectrum multi-epitope vaccine using an immunoinformatics approach. Methods For this purpose, all available complete genomes were retrieved from GISAID and NGDC followed by genome multiple alignments to develop a global consensus sequence to compare with the reference genome. Fortunately, comparative genomics and phylogeny revealed a significantly high level of conservation between the viral strains. All the Open Reading Frames (ORFs) of the reference sequence NC_045512.2 were subjected to epitope mapping using CTLpred and HLApred, respectively. The predicted CTL epitopes were then screened for antigenicity, immunogenicity and strong binding affinity with HLA superfamily alleles. HTL predicted epitopes were screened for antigenicity, interferon induction potential, overlapping B cell epitopes and strong HLA DR binding potential. The shortlisted epitopes were arranged into two multi-epitope sequences, Cov-I-Vac and Cov-II-Vac, and molecular docking was performed with Toll-Like Receptor 8 (TLR8). Results The designed multi-epitopes were found to be antigenic and non-allergenic. Both multi-epitopes were stable and predicted to be soluble in an Escherichia coli expression system. The molecular docking with TLR8 also demonstrated that they have a strong binding affinity and immunogenic potential. These in silico analyses suggest that the proposed multi-epitope vaccine can effectively evoke an immune response.
    Keywords General Biochemistry, Genetics and Molecular Biology ; General Neuroscience ; General Agricultural and Biological Sciences ; General Medicine ; covid19
    Language English
    Publisher PeerJ
    Publishing country us
    Document type Article ; Online
    ZDB-ID 2703241-3
    ISSN 2167-8359
    ISSN 2167-8359
    DOI 10.7717/peerj.9541
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article: Anti-COVID-19 multi-epitope vaccine designs employing global viral genome sequences

    Zaheer, Tahreem / Waseem, Maaz / Waqar, Walifa / Dar, Hamza Arshad / Shehroz, Muhammad / Naz, Kanwal / Ishaq, Zaara / Ahmad, Tahir / Ullah, Nimat / Bakhtiar, Syeda Marriam / Muhammad, Syed Aun / Ali, Amjad

    PeerJ

    Abstract: Background: The coronavirus SARS-CoV-2 is a member of the Coronaviridae family that has caused a global public health emergency. Currently, there is no approved treatment or vaccine available against it. The current study aimed to cover the diversity of ... ...

    Abstract Background: The coronavirus SARS-CoV-2 is a member of the Coronaviridae family that has caused a global public health emergency. Currently, there is no approved treatment or vaccine available against it. The current study aimed to cover the diversity of SARS-CoV-2 strains reported from all over the world and to design a broad-spectrum multi-epitope vaccine using an immunoinformatics approach. Methods: For this purpose, all available complete genomes were retrieved from GISAID and NGDC followed by genome multiple alignments to develop a global consensus sequence to compare with the reference genome. Fortunately, comparative genomics and phylogeny revealed a significantly high level of conservation between the viral strains. All the Open Reading Frames (ORFs) of the reference sequence NC_045512.2 were subjected to epitope mapping using CTLpred and HLApred, respectively. The predicted CTL epitopes were then screened for antigenicity, immunogenicity and strong binding affinity with HLA superfamily alleles. HTL predicted epitopes were screened for antigenicity, interferon induction potential, overlapping B cell epitopes and strong HLA DR binding potential. The shortlisted epitopes were arranged into two multi-epitope sequences, Cov-I-Vac and Cov-II-Vac, and molecular docking was performed with Toll-Like Receptor 8 (TLR8). Results: The designed multi-epitopes were found to be antigenic and non-allergenic. Both multi-epitopes were stable and predicted to be soluble in an Escherichia coli expression system. The molecular docking with TLR8 also demonstrated that they have a strong binding affinity and immunogenic potential. These in silico analyses suggest that the proposed multi-epitope vaccine can effectively evoke an immune response.
    Keywords covid19
    Publisher WHO
    Document type Article
    Note WHO #Covidence: #729763
    Database COVID19

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