Identification of promising SARS-CoV-2 main protease inhibitor through molecular docking, dynamics simulation, and ADMET analysis

Authors: Ganesh Sharma, Neeraj Kumar, Chandra Shekhar Sharma, Taha Alqahtani, Yewulsew Kebede Tiruneh, Sharifa Sultana, Gabriel Vinícius Rolim Silva, Gabriela de Lima Menezes, Magdi E. A. Zaki, Jonas Ivan Nobre Oliveira

Source: Scientific Reports, Vol 15, Iss 1, Pp 1-18 (2025)

Subject Terms: COVID-19, Mpro, Molecular Docking, SARS-CoV-2, 3CLpro, Molecular dynamics, ADMET, Medicine, Science

File Description: electronic resource

Relation: https://doaj.org/toc/2045-2322

Access URL: https://doaj.org/article/f68adbfe10b043c9b6b103514128b9af

Development of a broad-spectrum epitope-based vaccine against Streptococcus pneumoniae.

Authors: Md Nahian, Muhammad Shahab, Md Rasel Khan, Shopnil Akash, Tanjina Akhtar Banu, Murshed Hasan Sarkar, Barna Goswami, Sanjana Fatema Chowdhury, Mohammad Ariful Islam, Ahmed Abu Rus'd, Shamima Begum, Ahashan Habib, Aftab Ali Shaikh, Jonas Ivan Nobre Oliveira, Shahina Akter

Source: PLoS ONE, Vol 20, Iss 1, p e0317216 (2025)

Subject Terms: Medicine, Science

File Description: electronic resource

Relation: https://doaj.org/toc/1932-6203

Access URL: https://doaj.org/article/52544bb6ff954a16a395e0bc70906bff

Advancing molecular modeling and reverse vaccinology in broad-spectrum yellow fever virus vaccine development

Authors: Ohana Leticia Tavares da Silva, Maria Karolaynne da Silva, Joao Firmino Rodrigues-Neto, Joao Paulo Matos Santos Lima, Vinicius Manzoni, Shopnil Akash, Umberto Laino Fulco, Mohammed Bourhia, Turki M. Dawoud, Hiba-Allah Nafidi, Baye Sitotaw, Shahina Akter, Jonas Ivan Nobre Oliveira

Source: Scientific Reports, Vol 14, Iss 1, Pp 1-24 (2024)

Subject Terms: Yellow fever, Multi-epitope vaccine, Immunoinformatic, B-lymphocyte, Cytotoxic T-lymphocyte, Helper T-lymphocyte, Medicine, Science

File Description: electronic resource

Relation: https://doaj.org/toc/2045-2322

Access URL: https://doaj.org/article/0bc4185cfbd6450a99fca3bfaa6b358f

Quantum mechanics insights into melatonin and analogs binding to melatonin MT1 and MT2 receptors

Authors: Gabriela de Lima Menezes, Katyanna Sales Bezerra, Jonas Ivan Nobre Oliveira, John Fontenele Araújo, Douglas Soares Galvão, Roosevelt Alves da Silva, Marielena Vogel Saivish, Umberto Laino Fulco

Source: Scientific Reports, Vol 14, Iss 1, Pp 1-17 (2024)

Subject Terms: Medicine, Science

File Description: electronic resource

Relation: https://doaj.org/toc/2045-2322

Access URL: https://doaj.org/article/183fdf4a7af84d7db93bbad3d7253ff8

Investigating whether H5N1 is a risk to human populations in Brazil

Authors: Claudio Bruno Silva de Oliveira, Joelma Maria de Araújo Andrade, Shahina Akter, Maria Karolaynne da Silva, Umberto Laino Fulco, Jonas Ivan Nobre Oliveira

Source: Revista da Sociedade Brasileira de Medicina Tropical, Vol 57 (2024)

Subject Terms: Arctic medicine. Tropical medicine, RC955-962

File Description: electronic resource

Relation: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0037-86822024000101100&lng=en&tlng=en; http://www.scielo.br/pdf/rsbmt/v57/1678-9849-rsbmt-57-e01100-2024.pdf; https://doaj.org/toc/1678-9849

Access URL: https://doaj.org/article/54307fa5a7f54fb397ff4690525f2e89

Exploring Quercetin Hydrate’s Potential as an Antiviral Treatment for Oropouche Virus

Authors: Gabriela de Lima Menezes, Marielena Vogel Saivish, Lívia Sacchetto, Gislaine Celestino Dutra da Silva, Igor da Silva Teixeira, Natalia Franco Bueno Mistrão, Maurício Lacerda Nogueira, Jonas Ivan Nobre Oliveira, Katyanna Sales Bezerra, Roosevelt Alves da Silva, Umberto Laino Fulco

Source: Biophysica, Vol 3, Iss 3, Pp 485-500 (2023)

Subject Terms: in silico, natural products, quercetin hydrate, antiviral, arboviruses, Biology (General), QH301-705.5

File Description: electronic resource

Relation: https://www.mdpi.com/2673-4125/3/3/32; https://doaj.org/toc/2673-4125

Access URL: https://doaj.org/article/6c1011bc0e2b46ce8d1ffea6480154d1

Spike protein mutations and structural insights of pangolin lineage B.1.1.25 with implications for viral pathogenicity and ACE2 binding affinity

Authors: Shahina Akter, Jonas Ivan Nobre Oliveira, Carl Barton, Murshed Hasan Sarkar, Muhammad Shahab, Tanjina Akhtar Banu, Barna Goswami, Eshrar Osman, Mohammad Samir Uzzaman, Tasnim Nafisa, Maruf Ahmed Molla, Mahmuda Yeasmin, Maisha Farzana, Ahashan Habib, Aftab Ali Shaikh, Salim Khan

Source: Scientific Reports, Vol 13, Iss 1, Pp 1-19 (2023)

Subject Terms: Medicine, Science

File Description: electronic resource

Relation: https://doaj.org/toc/2045-2322

Access URL: https://doaj.org/article/d93cef4787be4f6aa7530314de5cf83d

An immunoinformatics approach to epitope-based vaccine design against PspA in Streptococcus pneumoniae

Authors: Lincon Mazumder, Muhammad Shahab, Saidul Islam, Mahmuda Begum, Jonas Ivan Nobre Oliveira, Shamima Begum, Shahina Akter

Source: Journal of Genetic Engineering and Biotechnology, Vol 21, Iss 1, Pp 1-15 (2023)

Subject Terms: SPN, pneumococcal surface protein A (PspA), CTL, HTL, LBL, TLR4, Biotechnology, TP248.13-248.65, Genetics, QH426-470

File Description: electronic resource

Relation: https://doaj.org/toc/2090-5920

Access URL: https://doaj.org/article/05f33c0cd4d34b30ac27adfe121e328b

Toxicological Potential of the FDA-Approved Treatment against Monkeypox. Comment on Zovi et al. Pharmacological Agents with Antiviral Activity against Monkeypox Infection. Int. J. Mol. Sci. 2022, 23, 15941

Authors: Gabriel Christian de Farias Morais, Umberto Laino Fulco, Edilson Dantas da Silva, Claudio Bruno Silva de Oliveira, Jonas Ivan Nobre Oliveira

Source: International Journal of Translational Medicine, Vol 3, Iss 2, Pp 183-186 (2023)

Subject Terms: Monkeypox, tecovirimat, physicochemical descriptors, pharmacokinetic, toxicity, ADME-T, Computer applications to medicine. Medical informatics, R858-859.7

File Description: electronic resource

Relation: https://www.mdpi.com/2673-8937/3/2/13; https://doaj.org/toc/2673-8937

Access URL: https://doaj.org/article/05f26ce981fd4d338440c4a7d33b30e8

Investigation of protein-protein interactions and hotspot region on the NSP7-NSP8 binding site in NSP12 of SARS-CoV-2

Authors: José Xavier Lima Neto, Katyanna Sales Bezerra, Emmanuel Duarte Barbosa, Roniel Lima Araujo, Douglas Soares Galvão, Marcelo Leite Lyra, Jonas Ivan Nobre Oliveira, Shopnil Akash, Yousef A. Bin Jardan, Hiba-Allah Nafidi, Mohammed Bourhia, Umberto Laino Fulco

Source: Frontiers in Molecular Biosciences, Vol 10 (2024)

Subject Terms: SARS CoV-2, NSP7-NSP8 binding site, drug design, computational biology, and infectious disease, Biology (General), QH301-705.5

File Description: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fmolb.2023.1325588/full; https://doaj.org/toc/2296-889X

Access URL: https://doaj.org/article/4db16a88063740ed97aefc14370ba05f

Advances of Reverse Vaccinology for mRNA Vaccine Design against SARS-CoV-2: A Review of Methods and Tools

Authors: Maria Karolaynne da Silva, Daniel Melo de Oliveira Campos, Shopnil Akash, Shahina Akter, Leow Chiuan Yee, Umberto Laino Fulco, Jonas Ivan Nobre Oliveira

Source: Viruses, Vol 15, Iss 10, p 2130 (2023)

Subject Terms: SARS-CoV-2, mRNA vaccine, reverse vaccinology, Microbiology, QR1-502

File Description: electronic resource

Relation: https://www.mdpi.com/1999-4915/15/10/2130; https://doaj.org/toc/1999-4915

Access URL: https://doaj.org/article/be02b8769ee54107824290256ec79238

Are atypical lymphocytes a new predictive factor in the development of COVID-19?

Authors: Claudio Bruno Silva de Oliveira, Joelma Maria de Araújo Andrade, Jonas Ivan Nobre Oliveira

Source: Revista da Sociedade Brasileira de Medicina Tropical, Vol 55 (2022)

Subject Terms: Arctic medicine. Tropical medicine, RC955-962

File Description: electronic resource

Relation: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0037-86822022000100908&tlng=en; https://doaj.org/toc/1678-9849

Access URL: https://doaj.org/article/540fdd19ea2b46248134f19a25d5450c

Animal models for inducing inflammatory bowel diseases: integrative review

Authors: Nadja Maria da Costa Melo, Marília Virgo Silva Almeida, Daniel Melo de Oliveira Campos, Claudio Bruno Silva de Oliveira, Jonas Ivan Nobre Oliveira

Source: Revista Ciências em Saúde, Vol 11, Iss 1, Pp 80-87 (2021)

Subject Terms: inflammatory bowel diseases, ulcerative colitis, animal disease models, Nursing, RT1-120, Medicine (General), R5-920

File Description: electronic resource

Relation: http://186.225.220.186:7474/ojs/index.php/rcsfmit_zero/article/view/1056; https://doaj.org/toc/2236-3785

Access URL: https://doaj.org/article/bb125e26405f420bb3f978d361f2497d

Monkeypox: A looming concern for children?

Authors: Claudio Bruno Silva de Oliveira, Joelma Maria de Araújo Andrade, Jonas Ivan Nobre Oliveira

Source: Asian Pacific Journal of Tropical Medicine, Vol 15, Iss 8, Pp 335-336 (2022)

Subject Terms: Arctic medicine. Tropical medicine, RC955-962

File Description: electronic resource

Relation: http://www.apjtm.org/article.asp?issn=1995-7645;year=2022;volume=15;issue=8;spage=335;epage=336;aulast=Oliveira; https://doaj.org/toc/2352-4146

Access URL: https://doaj.org/article/e025dc2ef1624036acfe5f958c6e7082

Study of comparative proteome between normal and inverted karyotypes of human mesenchymal stem cells

Authors: John Lenon de Souza Santos, Alice Barros Câmara, Isabella Tanus Job e Meira, Jonas Ivan Nobre Oliveira

Source: Acta Scientiarum: Biological Sciences, Vol 42, Pp e50260-e50260 (2020)

Subject Terms: genetic instability, protein profile, umbilical cord, interaction network., Biology (General), QH301-705.5, Microbiology, QR1-502

File Description: electronic resource

Relation: http://www.periodicos.uem.br/ojs/index.php/ActaSciBiolSci/article/view/50260; https://doaj.org/toc/1679-9283; https://doaj.org/toc/1807-863X

Access URL: https://doaj.org/article/5cc91b10a41c4bd6b8a172c081078375

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