Works in Journal of Biomolecular Structure & Dynamics, 2022, Vol 40, Issue 22


Results: 70
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    Antiproliferative activity on Trypanosoma cruzi (Y strain) of the triterpene 3β,6β,16β-trihidroxilup-20 (29)-ene isolated from Combretum leprosum.

    Published in:
    Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 22, p. 12302, doi. 10.1080/07391102.2021.1970025
    By:
    • de Araújo, José Ismael F.;
    • Aires, Natália L.;
    • Almeida-Neto, Francisco W. Q.;
    • Marinho, Márcia M.;
    • Marinho, Emanuelle M.;
    • Paula Magalhães, Emanuel;
    • de Menezes, Ramon R. P. P. B.;
    • Sampaio, Tiago L.;
    • Maria Costa Martins, Alice;
    • Teixeira, Edson H.;
    • Rafaela Freitas Dotto, Ana;
    • Amaral, Wanderlei do;
    • Teixeira, Alexandre Magno R.;
    • de Lima-Neto, Pedro;
    • Marinho, Emmanuel S.;
    • dos Santos, Hélcio S.
    Publication type:
    Article
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    Myxobacterial depsipeptide chondramides interrupt SARS-CoV-2 entry by targeting its broad, cell tropic spike protein.

    Published in:
    Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 22, p. 12209, doi. 10.1080/07391102.2021.1969281
    By:
    • Fernandez, Rey Arturo;
    • Quimque, Mark Tristan;
    • Notarte, Kin Israel;
    • Manzano, Joe Anthony;
    • Pilapil IV, Delfin Yñigo;
    • de Leon, Von Novi;
    • San Jose, John Jeric;
    • Villalobos, Omar;
    • Muralidharan, Nisha Harur;
    • Gromiha, M. Michael;
    • Brogi, Simone;
    • Macabeo, Allan Patrick G.
    Publication type:
    Article
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    Exploring novel and potent molecules for disrupting DEPTOR-mTOR interaction through structure-steered screening, extra-exactitude molecular docking, prime binding free energy estimation and voguish molecular dynamics.

    Published in:
    Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 22, p. 12037, doi. 10.1080/07391102.2021.1967785
    By:
    • Shah, Basit Amin;
    • Ganai, Shabir Ahmad;
    • Koul, Aabid M.;
    • Mohan, Suma;
    • Amin, Asif;
    • Wani, Zubair;
    • Majeed, Umer;
    • Rajamanikandan, Sundaraj;
    • Farooq, Faizah;
    • Malik, Firdose Ahmad;
    • Shah, Naveed Nazir;
    • Qadri, Raies A.
    Publication type:
    Article
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    Covid-19 rapid test by combining a Random Forest-based web system and blood tests.

    Published in:
    Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 22, p. 11948, doi. 10.1080/07391102.2021.1966509
    By:
    • Barbosa, Valter Augusto de Freitas;
    • Gomes, Juliana Carneiro;
    • de Santana, Maíra Araújo;
    • de Lima, Clarisse Lins;
    • Calado, Raquel Bezerra;
    • Bertoldo Júnior, Cláudio Roberto;
    • Albuquerque, Jeniffer Emidio de Almeida;
    • de Souza, Rodrigo Gomes;
    • de Araújo, Ricardo Juarez Escorel;
    • Mattos Júnior, Luiz Alberto Reis;
    • de Souza, Ricardo Emmanuel;
    • dos Santos, Wellington Pinheiro
    Publication type:
    Article
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    Strategic analyses to identify key structural features of antiviral/antimalarial compounds for their binding interactions with 3CLpro, PLpro and RdRp of SARS-CoV-2: in silico molecular docking and dynamic simulation studies.

    Published in:
    Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 22, p. 11914, doi. 10.1080/07391102.2021.1965912
    By:
    • Dhote, Ashish M.;
    • Patil, Vikas R.;
    • Lokwani, Deepak K.;
    • Amnerkar, Nikhil D.;
    • Ugale, Vinod G.;
    • Charbe, Nitin B.;
    • Bhongade, Bhoomendra A.;
    • Khadse, Saurabh C.
    Publication type:
    Article
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    Immunoinformatic approach employing modeling and simulation to design a novel vaccine construct targeting MDR efflux pumps to confer wide protection against typhoidal Salmonella serovars.

    Published in:
    Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 22, p. 11809, doi. 10.1080/07391102.2021.1964600
    By:
    • Mahapatra, Soumya Ranjan;
    • Dey, Jyotirmayee;
    • Kushwaha, Gajraj Singh;
    • Puhan, Puspasree;
    • Mohakud, Nirmal Kumar;
    • Panda, Santosh Kumar;
    • Lata, S;
    • Misra, Namrata;
    • Suar, Mrutyunjay
    Publication type:
    Article
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