The discovery of Zika virus NS2B-NS3 inhibitors with antiviral activity via an integrated virtual screening approach

Authors: Mirza, Muhammad Usman, Alanko, Ida, Vanmeert, Michiel, Muzzarelli, Kendall M., Salo-Ahen, Outi M.H., Abdullah, Iskandar, Kovari, Iulia A., Claes, Sandra, De Jonghe, Steven, Schols, Dominique, Schinazi, Raymond F., Kovari, Ladislau C., Trant, John F., Ahmad, Sarfraz, Froeyen, Matheus

Source: In European Journal of Pharmaceutical Sciences 1 August 2022 175

Efficient and Accurate Potential Energy Surfaces of Puckering in Sugar-Modified Nucleosides

Authors: Mattelaer, Charles-Alexandre, Mattelaer, Henri-Philippe, Rihon, Jérôme, Froeyen, Matheus, Lescrinier, Eveline

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 17(6):3814-3823

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New isolate from Salvinia molesta with antioxidant and urease inhibitory activity

Authors: Naheed, Nadra, Maher, Saima, Saleem, Farooq, Khan, Ajmal, Wadood, Abdul, Rasheed, Saima, Choudhary, M. Iqbal, Froeyen, Matheus, Abdullah, Iskandar, Mirza, Muhammad Usman, Trant, John F., Ahmad, Sarfraz

Source: Drug development research. 82(8):1169-1181

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Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CLpro

Authors: Alamri, Mubarak A., Tahir ul Qamar, Muhammad, Mirza, Muhammad Usman, Bhadane, Rajendra, Alqahtani, Safar M., Muneer, Iqra, Froeyen, Matheus, Salo-Ahen, Outi M. H.

Source: Journal of biomolecular structure & dynamics. 39(13):4936-4948

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Discovery of human coronaviruses pan-papain-like protease inhibitors using computational approaches

Authors: Alamri, Mubarak A., Tahir ul Qamar, Muhammad, Mirza, Muhammad Usman, Alqahtani, Safar M., Froeyen, Matheus, Chen, Ling-Ling

Source: In Journal of Pharmaceutical Analysis December 2020 10(6):546-559

New naphthalene derivative for cost-effective AChE inhibitors for Alzheimer’s treatment: In silico identification, in vitro and in vivo validation

Authors: Anwar, Fareeha, Saleem, Uzma, Ahmad, Bashir, Ashraf, Muhammad, Rehman, Atta Ur, Froeyen, Matheus, Kee, Lee Yean, Abdullah, Iskandar, Mirza, Muhammad Usman, Ahmad, Sarfraz ^*

Source: In Computational Biology and Chemistry December 2020 89

Discovery of HIV entry inhibitors via a hybrid CXCR4 and CCR5 receptor pharmacophore‐based virtual screening approach

Authors: Mirza, Muhammad Usman, Saadabadi, Atefeh, Vanmeert, Michiel, Salo-Ahen, Outi M.H., Abdullah, Iskandar, Claes, Sandra, De Jonghe, Steven, Schols, Dominique, Ahmad, Sarfraz, Froeyen, Matheus

Source: In European Journal of Pharmaceutical Sciences 1 December 2020 155

Discovery of novel Hepatitis C virus inhibitor targeting multiple allosteric sites of NS5B polymerase

Authors: Khalid, Hina, Landry, Koloko Brice, Ijaz, Bushra, Ashfaq, Usman Ali, Ahmed, Matloob, Kanwal, Afshan, Froeyen, Matheus, Mirza, Muhammad Usman

Source: In Infection, Genetics and Evolution October 2020 84

Structural elucidation of SARS-CoV-2 vital proteins: Computational methods reveal potential drug candidates against main protease, Nsp12 polymerase and Nsp13 helicase

Authors: Mirza, Muhammad Usman, Froeyen, Matheus

Source: In Journal of Pharmaceutical Analysis August 2020 10(4):320-328

Pharmacophore-Assisted Covalent Docking Identifies a Potential Covalent Inhibitor for Drug-Resistant Genotype 3 Variants of Hepatitis C Viral NS3/4A Serine Protease.

Authors: Iman, Kanzal, Mirza, Muhammad Usman, Sadia, Fazila, Froeyen, Matheus, Trant, John F., Chaudhary, Safee Ullah

Source: Viruses (1999-4915); Aug2024, Vol. 16 Issue 8, p1250, 28p

Subject Terms: HEPATITIS C virus, VIRAL hepatitis, DRUG design, DRUG resistance, BINDING sites

Family-wide analysis of aminoacyl-sulfamoyl-3-deazaadenosine analogues as inhibitors of aminoacyl-tRNA synthetases

Authors: Zhang, Baole, De Graef, Steff, Nautiyal, Manesh, Pang, Luping, Gadakh, Bharat, Froeyen, Matheus, Van Mellaert, Lieve, Strelkov, Sergei V., Weeks, Stephen D., Van Aerschot, Arthur

Source: In European Journal of Medicinal Chemistry 25 March 2018 148:384-396

In vitro evaluation of arylsubstituted imidazoles derivatives as antiprotozoal agents and docking studies on sterol 14α-demethylase (CYP51) from Trypanosoma cruzi, Leishmania infantum, and Trypanosoma brucei

Authors: Rojas Vargas, Julio Alberto, López, América García, Pérez, Yulier, Cos, Paul, Froeyen, Matheus

Source: Parasitology research. 118(5):1533-1548

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Perspectives towards antiviral drug discovery against Ebola virus

Authors: Mirza, Muhammad Usman, Vanmeert, Michiel, Ali, Amjad, Iman, Kanzal, Froeyen, Matheus, Idrees, Muhammad

Source: Journal of medical virology. 91(12):2029-2048

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100091387884.0x000001&indx=1&recIds=ETOCvdc_100091387884.0x000001

Elaboration of a proprietary thymidylate kinase inhibitor motif towards anti-tuberculosis agents

Authors: Song, Lijun, Risseeuw, Martijn D.P., Froeyen, Matheus, Karalic, Izet, Goeman, Jan, Cappoen, Davie, Van der Eycken, Johan, Cos, Paul, Munier-Lehmann, Hélène, Van Calenbergh, Serge

Source: In Bioorganic & Medicinal Chemistry 1 November 2016 24(21):5172-5182

Molecular simulation of cyclohexanyl nucleic acid (CNA) duplexes with CNA, DNA and RNA and CNA triloop and tetraloop hairpin structures

Authors: Froeyen, Matheus, Abu el Asrar, Rania, Abramov, Mikhail, Herdewijn, Piet

Source: In Bioorganic & Medicinal Chemistry 15 April 2016 24(8):1778-1785

Corrigendum to 'Discovery of HIV entry inhibitors via a hybrid CXCR4 and CCR5 receptor pharmacophore-based virtual screening approach' [European Journal of Pharmaceutical Sciences 155 (2020) 105537]

Authors: Mirza, Muhammad Usman, Saadabadi, Atefeh, Vanmeert, Michiel, Salo-Ahen, Outi M.H., Abdullah, Iskandar, Claes, Sandra, De Jonghe, Steven, Schols, Dominique, Ahmad, Sarfraz, Froeyen, Matheus

Source: European journal of pharmaceutical sciences. 162

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Effect of Berberis vulgaris L. root extract on ifosfamide-induced in vivo toxicity and in vitro cytotoxicity

Authors: Ilyas, Shazia, Tabasum, Raheela, Iftikhar, Ali, Nazir, Mamoona, Hussain, Amina, Hussain, Aroosha, Ali, Muhammad Sajjad, Saleem, Farooq, Saleem, Uzma, Froeyen, Matheus, Abdullah, Iskandar, Mirza, Muhammad Usman, Ahmad, Sarfraz

Source: Scientific reports. 11(1)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100194181397.0x000001&indx=1&recIds=ETOCvdc_100194181397.0x000001

Identification of novel human USP2 inhibitor and its putative role in treatment of COVID-19 by inhibiting SARS-CoV-2 papain-like (PLpro) protease

Authors: Mirza, Muhammad Usman, Ahmad, Sarfraz, Abdullah, Iskandar, Froeyen, Matheus

Source: Computational biology and chemistry. 89

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100116984098.0x000001&indx=1&recIds=ETOCvdc_100116984098.0x000001

Synthesis and inhibitory activity of thymidine analogues targeting Mycobacterium tuberculosis thymidine monophosphate kinase

Authors: Van Poecke, Sara, Munier-Lehmann, Hélène, Helynck, Olivier, Froeyen, Matheus, Van Calenbergh, Serge

Source: In Bioorganic & Medicinal Chemistry 15 December 2011 19(24):7603-7611

Exploring the conformational changes of the ATP binding site of gyrase B from Escherichia coli complexed with different established inhibitors by using molecular dynamics simulation : Protein–ligand interactions in the light of the alanine scanning and free energy decomposition methods

Authors: Saíz-Urra, Liane, Cabrera, Miguel Angel, Froeyen, Matheus

Source: In Journal of Molecular Graphics and Modelling 2011 29(5):726-739