Prof Olubiyi Olujide O.

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Birgit StrodelProfessor, Computational Biochemistry, Research Centre Jülich & University Düsseldorf, GermanyVerified email at strodel.info
Taiwo Bamigboye J.Senior Lecturer in Pharmaceutical Chemistry, Obafemi Awolowo UniversityVerified email at oauife.edu.ng
Anthony Chinonso Ekennia (Ph.D)Alex Ekwueme, Federal University, Ndufu-Alike, Nigeria. Department of ChemistryVerified email at funai.edu.ng
Damian C. OnwudiweNorth-West UniversityVerified email at nwu.ac.za
Dieter WillboldProfessor of Physical Biology, Heinrich-Heine-UniversityVerified email at fz-juelich.de
Fanie van HeerdenUniversity of KwaZulu-NatalVerified email at ukzn.ac.za
Shozeb HaiderUCL School of PharmacyVerified email at ucl.ac.uk
Ikemefuna Chijioke UZOCHUKWU(For...Professor at Nnamdi Azikiwe University, Awka, NigeriaVerified email at unizik.edu.ng
Ngozi NwodoDepartment of Pharmaceutical and Medicinal Chemistry, University of Nigeria, NsukkaVerified email at unn.edu.ng
Akachukwu IbezimPharmaceutical and Medicinal Chemistry, University of Nigeria, NsukkaVerified email at unn.edu.ng
Gennaro PiccialliFull professor of Organic Chemistry, University of Naples "Federico II", Naples, ItalyVerified email at unina.it
Mayol LucianoUniversità di Napoli Federico IIVerified email at unina.it
Giorgia OlivieroFull ProfessorVerified email at unina.it
Nicola BorboneUniversity of Naples Federico II, ItalyVerified email at unina.it
Qinghua LiaoUniversity of BarcelonaVerified email at ub.edu
Matthias StoldtScientist of Protein NMR SpectroscopyVerified email at fz-juelich.de
Peixiang MaShanghai Jiao Tong University School of MedicineVerified email at shsmu.edu.cn
Nnaemeka Joshua Nnochiri NnajiFederal University Ndufu Alike Ikwo; Former Postdoc Stellenbosch University; Postdoc North West UnivVerified email at funai.edu.ng
Professor Oguejiofo T. UjamDepartment of Pure & Industrial Chemistry, University of Nigeria, Nsukka 410001, Enugu, Nigeria.Verified email at unn.edu.ng
Mark R. J. ElsegoodSenior Lecturer in Inorganic Chemistry, Chemistry Dept., Loughborough University.Verified email at lboro.ac.uk

Prof Olubiyi Olujide O.

Department of Pharmaceutical and Medicinal Chemistry, College of Pharmacy, Afe Babalola University

Verified email at abuad.edu.ng

Drug discovery medicinal chemistry computer-aided drug discovery ligand-receptor interaction


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Structures of the Amyloid β-Peptides Aβ_1–40 and Aβ_1–42 as Influenced by pH and a d-Peptide OO Olubiyi, B Strodel The Journal of Physical Chemistry B 116 (10), 3280-3291, 2012	125	2012
High throughput virtual screening to discover inhibitors of the main protease of the coronavirus SARS-CoV-2 OO Olubiyi, M Olagunju, M Keutmann, J Loschwitz, B Strodel Molecules 25 (14), 3193, 2020	96	2020
Therapeutic potentials of antiviral plants used in traditional african medicine with COVID-19 in focus: a Nigerian perspective AF Attah, AA Fagbemi, O Olubiyi, H Dada-Adegbola, A Oluwadotun, ... Frontiers in pharmacology 12, 596855, 2021	66	2021
Early amyloid β-protein aggregation precedes conformational change B Barz, OO Olubiyi, B Strodel Chemical communications 50 (40), 5373-5375, 2014	64	2014
Synthesis, characterization, DFT calculations and molecular docking studies of metal (II) complexes AC Ekennia, AA Osowole, LO Olasunkanmi, DC Onwudiwe, OO Olubiyi, ... Journal of Molecular Structure 1150, 279-292, 2017	57	2017
Tetra-end-linked oligonucleotides forming DNA G-quadruplexes: a new class of aptamers showing anti-HIV activity G Oliviero, J Amato, N Borbone, S D'Errico, A Galeone, L Mayol, S Haider, ... Chemical communications 46 (47), 8971-8973, 2010	49	2010
Identification of compounds with cytotoxic activity from the leaf of the Nigerian medicinal plant, Anacardium occidentale L.(Anacardiaceae) BJ Taiwo, AA Fatokun, OO Olubiyi, OT Bamigboye-Taiwo, ... Bioorganic & Medicinal Chemistry 25 (8), 2327-2335, 2017	43	2017
Novel inhibitors of the main protease enzyme of SARS-CoV-2 identified via molecular dynamics simulation-guided in vitro assay J Loschwitz, A Jäckering, M Keutmann, M Olagunju, RJ Eberle, ... Bioorganic Chemistry 111, 104862, 2021	40	2021
Amyloid aggregation inhibitory mechanism of arginine-rich D-peptides OO Olubiyi, D Frenzel, D Bartnik, JM Gluck, O Brener, L Nagel-Steger, ... Current medicinal chemistry 21 (12), 1448-1457, 2014	36	2014
Computer simulations of protein–membrane systems J Loschwitz, OO Olubiyi, JS Hub, B Strodel, CS Poojari Progress in molecular biology and translational science 170, 273-403, 2020	35	2020
SARS-CoV-2 Omicron spike glycoprotein receptor binding domain exhibits super-binder ability with ACE2 but not convalescent monoclonal antibody O Omotuyi, O Olubiyi, O Nash, E Afolabi, B Oyinloye, S Fatumo, ... Computers in biology and medicine 142, 105226, 2022	32	2022
Palladium (II) and platinum (II) complexes of N-butyl-N-phenyldithiocarbamate: Synthesis, characterization, biological activities and molecular docking studies DC Onwudiwe, AC Ekennia, BMS Mogwase, OO Olubiyi, E Hosten Inorganica Chimica Acta 450, 69-80, 2016	24	2016
Polyphenolic compounds with anti-tumour potential from Corchorus olitorius (L.) Tiliaceae, a Nigerian leaf vegetable BJ Taiwo, GO Taiwo, OO Olubiyi, AA Fatokun Bioorganic & medicinal chemistry letters 26 (15), 3404-3410, 2016	24	2016
Conformational transitions of the Amyloid‐β peptide upon copper (II) binding and pH changes Q Liao, MC Owen, OO Olubiyi, B Barz, B Strodel Israel journal of chemistry 57 (7-8), 771-784, 2017	22	2017
Coordination compounds of heterocyclic bases: synthesis, characterization, computational and biological studies AC Ekennia, DC Onwudiwe, AA Osowole, OC Okpareke, OO Olubiyi, ... Research on Chemical Intermediates 45, 1169-1205, 2019	19	2019
Conformational polymorphism in autophagy-related protein GATE-16 P Ma, O Schillinger, M Schwarten, J Lecher, R Hartmann, M Stoldt, ... Biochemistry 54 (35), 5469-5479, 2015	19	2015
Dataset of AMBER force field parameters of drugs, natural products and steroids for simulations using GROMACS J Loschwitz, A Jäckering, M Keutmann, M Olagunju, OO Olubiyi, B Strodel Data in brief 35, 106948, 2021	17	2021
Synthesis, spectral, thermal, antibacterial and molecular docking studies of some metal (II) complexes of 2-(1, 3-benzothiazol-2-ylamino) naphthalene-1, 4-dione AA Osowole, AC Ekennia, OO Olubiyi, M Olagunju Research on Chemical Intermediates 43, 2565-2585, 2017	17	2017
In silico investigation of morpholines as novel class of trypanosomal triosephosphate isomerase inhibitors A Ibezim, NJ Nwodo, NJN Nnaji, OT Ujam, OO Olubiyi, CJ Mba Medicinal Chemistry Research 26, 180-189, 2017	16	2017
Molecular Dynamics of HIV1-Integrase in Complex with 93del—A Structural Perspective on the Mechanism of Inhibition M Sgobba, O Olubiyi, S Ke, S Haider Journal of Biomolecular Structure and Dynamics 29 (5), 863-877, 2012	16	2012

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