Computational discovery of dual potential inhibitors of SARS-CoV-2 spike/ACE2 and M ^pro : 3D-pharmacophore, docking-based virtual screening, quantum mechanics and molecular dynamics.

Autor: Bekono BD; Department of Physics, Ecole Normale Supérieure, University of Yaoundé I, P. O. Box 47, Yaoundé, CM-00237, Cameroon. borisbekono@gmail.com.; Center for Drug Discovery, Faculty of Science, University of Buea, P.O. Box 63, Buea, CM-00237, Cameroon. borisbekono@gmail.com., Onguéné PA; Center for Drug Discovery, Faculty of Science, University of Buea, P.O. Box 63, Buea, CM-00237, Cameroon.; Department of Chemistry, University of Yaoundé I Institute of Wood Technology Mbalmayo, University of Yaoundé I, BP 50, Mbalmayo, Cameroon., Simoben CV; Center for Drug Discovery, Faculty of Science, University of Buea, P.O. Box 63, Buea, CM-00237, Cameroon.; Structural Genomics Consortium, University of Toronto, Toronto, ON, M5G 1L7, Canada., Owono LCO; Department of Physics, Ecole Normale Supérieure, University of Yaoundé I, P. O. Box 47, Yaoundé, CM-00237, Cameroon.; CEPAMOQ, Faculty of Science, University of Douala, CM-00237, Douala, Cameroon., Ntie-Kang F; Center for Drug Discovery, Faculty of Science, University of Buea, P.O. Box 63, Buea, CM-00237, Cameroon. fidele.ntie-kang@ubuea.cm.; Department of Chemistry, Faculty of Science, University of Buea, CM-00237, Buea, Cameroon. fidele.ntie-kang@ubuea.cm.; Institute of Pharmacy, Martin-Luther University Halle-Wittenberg, 06120, Halle (Saale), Germany. fidele.ntie-kang@ubuea.cm.

Publikováno v: European biophysics journal : EBJ [Eur Biophys J] 2024 Aug; Vol. 53 (5-6), pp. 277-298. Date of Electronic Publication: 2024 Jun 21.

The workshops on computational applications in secondary metabolite discovery (CAiSMD).

Autor: Ntie-Kang F; Center for Drug Discovery, University of Buea, P. O. Box 63 Buea, Cameroon.; Department of Chemistry, University of Buea, P. O. Box 63 Buea, Cameroon.; Institute of Pharmacy, Martin-Luther University of Halle-Wittenberg, Kurt-Mothes-Str. 3, 06120 Halle, Germany., Eni DB; Center for Drug Discovery, University of Buea, P. O. Box 63 Buea, Cameroon.; Department of Chemistry, University of Buea, P. O. Box 63 Buea, Cameroon., Telukunta KK; Tarunavadaanenasaha Muktbharatonnayana Samstha Foundation, Hyderabad, India., Osamor VC; Department of Computer and Information Sciences, Covenant University, Ota, Nigeria., Egieyeh SA; School of Pharmacy, University of the Western Cape, Cape Town, 7535 South Africa.; South African Medical Research Council Bioinformatics Unit, South African National Bioinformatics Institute, University of the Western Cape, Cape Town 7535, South Africa., Duran-Frigola M; Ersilia Open Source Initiative, Cambridge, UK., Mishra P; Department of Education, Uresearcher Growth Labs Private Limited, 2/44-45, Wazir Hasan Road, Lucknow, Uttar Pradesh 226001, India., Shadrack DM; Department of Chemistry, St. John's University of Tanzania, P. O. Box 47 Dodoma, Tanzania., Paul L; Department of Chemistry, Dar es Salaam University College of Education (DUCE), P. O. Box 2329 Dar es Salaam, Tanzania., Musyoka TM; Department of Biochemistry, Microbiology and Biotechnology, Kenyatta University, Nairobi, Kenya., Blin K; The Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark, Kongens Lyngby, Denmark., Farid MM; Department of Phytochemistry and Plant Systematics, Pharmaceutical and Drug Industries Research Institute, National Research Center, Cairo, Egypt., Chen Y; Department of Pharmaceutical Sciences, Division of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna, 1090 Vienna, Austria., Djogang LK; Department of Inorganic Chemistry, University of Yaounde I, Yaounde, Cameroon., Betow JY; Center for Drug Discovery, University of Buea, P. O. Box 63 Buea, Cameroon.; Department of Chemistry, University of Buea, P. O. Box 63 Buea, Cameroon., Ibezim A; Department of Pharmaceutical and Medicinal Chemistry, Faculty of Pharmaceutical Sciences, University of Nigeria, Nsukka, Nigeria., Joshi D; Tarunavadaanenasaha Muktbharatonnayana Samstha Foundation, Hyderabad, India., Edwin AT; Tarunavadaanenasaha Muktbharatonnayana Samstha Foundation, Hyderabad, India., Chama MA; Department of Chemistry, School of Physical and Mathematical Sciences, University of Ghana, Accra, Ghana., Ongagna JM; Department of Chemistry, University of Douala, Douala, Cameroon., Kemdoum Sinda PV; Department of Chemistry, University of Dschang, Dschang, Cameroon., Metuge JA; Department of Natural Resources and Environmental Sciences, Alabama A & M University, Huntsville, USA., Bekono BD; Department of Physics, Ecole Normale Supérieure, University of Yaoundé I, BP. 47, Yaoundé, Cameroon., Isa MA; Bioinformatics and Computational Biology Lab, Department of Microbiology, Faculty of Sciences, University of Maiduguri, P.M.B. 1069, Maiduguri, Borno State, Nigeria.; School of Pharmacy, Taipei Medical University, Taipei, Taiwan., Medina-Franco JL; DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Universidad Nacional Autónoma de Mexico, Mexico City 04510, Mexico., Weber T; The Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark, Kongens Lyngby, Denmark., Dorrestein PC; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Drive, MC 0751, La Jolla, CA 92093-0751, USA., Janezic D; Faculty of Mathematics, Natural Sciences and Information Technologies, University of Primorska, Glagoljaška 8, SI-6000 Koper, Slovenia., Bishop ÖT; Research Unit in Bioinformatics (RUBi), Department of Biochemistry and Microbiology, Rhodes University, Makhanda, 6140, South Africa., Ludwig-Müller J; Faculty of Biology, Technische Universität Dresden, Zellescher Weg 20b, 01062 Dresden, Germany.

Publikováno v: Physical sciences reviews [Phys Sci Rev] 2024 May 08; Vol. 9 (10), pp. 3289-3304. Date of Electronic Publication: 2024 May 08 (Print Publication: 2024).

Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop.

Autor: Ntie-Kang F; Department of Chemistry, University of Buea, P. O. Box 63, Buea, Cameroon. fidele.ntie-kang@ubuea.cm.; Institute of Pharmacy, Martin-Luther University of Halle-Wittenberg, Kurt-Mothes-Str. 3, 06120, Halle, Germany. fidele.ntie-kang@ubuea.cm.; Institute of Botany, Technische Universität Dresden, Zellescher Weg 20b, 01062, Dresden, Germany. fidele.ntie-kang@ubuea.cm., Telukunta KK; Tarunavadaanenasaha Muktbharatonnayana Samstha Foundation, Hyderabad, India., Fobofou SAT; Institute of Pharmaceutical Biology, Technische Universität Braunschweig, Mendelssohnstrasse 1, 38106, Braunschweig, Germany., Chukwudi Osamor V; Department of Computer and Information Sciences, Colege of Science and Technology, Covenant University, Km. 10 Idiroko Rd, Ogun, Ota, Nigeria., Egieyeh SA; School of Pharmacy, University of the Western Cape, Cape Town, 7535, South Africa.; South African Medical Research Council Bioinformatics Unit, South African National Bioinformatics Institute, University of the Western Cape, Cape Town, 7535, South Africa., Valli M; Nuclei of Bioassays, Biosynthesis and Ecophysiology of Natural Products (NuBBE), Department of Organic Chemistry, Institute of Chemistry, Sao Paulo State University-UNESP, Araraquara, Brazil., Djoumbou-Feunang Y; Corteva Agriscience, Indianapolis, IN, USA., Sorokina M; Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University, Jena, Germany., Stork C; Center for Bioinformatics, Universität Hamburg, 20146, Hamburg, Germany., Mathai N; Department of Chemistry and Computational Biology Unit (CBU), University of Bergen, 5020, Bergen, Norway., Zierep P; Pharmaceutical Bioinformatics, Albert-Ludwigs-University, Freiburg, Germany., Chávez-Hernández AL; DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Universidad Nacional Autónoma de México, Mexico City, Mexico., Duran-Frigola M; Ersilia Open Source Initiative, Cambridge, UK.; Joint IRB-BSC-CRG Programme in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Barcelona, Catalonia, Spain., Babiaka SB; Department of Chemistry, University of Buea, P. O. Box 63, Buea, Cameroon., Tematio Fouedjou R; Department of Chemistry, University of Dschang, Dschang, Cameroon., Eni DB; Department of Chemistry, University of Buea, P. O. Box 63, Buea, Cameroon., Akame S; Department of Immunology, School of Health Sciences, Catholic University of Central Africa, BP 7871, Yaoundé, Cameroon., Arreyetta-Bawak AB; Department of Biochemistry and Molecular Biology, University of Buea, P. O. Box 63, Buea, Cameroon., Ebob OT; Department of Chemistry, University of Buea, P. O. Box 63, Buea, Cameroon., Metuge JA; Department of Biochemistry and Molecular Biology, University of Buea, P. O. Box 63, Buea, Cameroon., Bekono BD; Department of Physics, Ecole Normale Supérieure, University of Yaoundé I, BP. 47, Yaoundé, Cameroon., Isa MA; Bioinformatics and Computational Biology Lab, Department of Microbiology, Faculty of Sciences, University of Maiduguri, P.M.B. 1069, Maiduguri, Borno State, Nigeria., Onuku R; Department of Pharmaceutical and Medicinal Chemistry, Faculty of Pharmaceutical Sciences, University of Nigeria Nsukka, Nsukka, Nigeria., Shadrack DM; Department of Chemistry, St. John's University of Tanzania, P. O. Box 47, Dodoma, Tanzania., Musyoka TM; Research Unit in Bioinformatics (RUBi), Department of Biochemistry and Microbiology, Rhodes University, Makhanda, 6140, South Africa., Patil VM; Computer Aided Drug Design Lab, KIET Group of Institutions, Delhi-NCR, Ghaziabad, 201206, India., van der Hooft JJJ; Bioinformatics Group, Wageningen University, Wageningen, The Netherlands., da Silva Bolzani V; Nuclei of Bioassays, Biosynthesis and Ecophysiology of Natural Products (NuBBE), Department of Organic Chemistry, Institute of Chemistry, Sao Paulo State University-UNESP, Araraquara, Brazil., Medina-Franco JL; DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Universidad Nacional Autónoma de México, Mexico City, Mexico., Kirchmair J; Department of Pharmaceutical Sciences, Division of Pharmaceutical Chemistry, University of Vienna, 1090, Vienna, Austria., Weber T; The Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark, Kgs. Lyngby, Denmark., Tastan Bishop Ö; Research Unit in Bioinformatics (RUBi), Department of Biochemistry and Microbiology, Rhodes University, Makhanda, 6140, South Africa., Medema MH; Bioinformatics Group, Wageningen University, Wageningen, The Netherlands., Wessjohann LA; Department of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry (IPB), Weinberg 3, 06120, Halle (Saale), Germany.; German Centre for Integrative Biodiversity Research (iDiv), Puschstraße 4, 04103, Leipzig, Germany., Ludwig-Müller J; Institute of Botany, Technische Universität Dresden, Zellescher Weg 20b, 01062, Dresden, Germany. jutta.ludwig-mueller@tu-dresden.de.

Publikováno v: Journal of cheminformatics [J Cheminform] 2021 Sep 06; Vol. 13 (1), pp. 64. Date of Electronic Publication: 2021 Sep 06.

The potential of anti-malarial compounds derived from African medicinal plants: a review of pharmacological evaluations from 2013 to 2019.

Autor: Bekono BD; Department of Physics, Ecole Normale Supérieure, University of Yaoundé I, P. O. Box 47, Yaoundé, Cameroon., Ntie-Kang F; Department of Chemistry, Faculty of Science, University of Buea, P. O. Box 63, Buea, Cameroon. ntiekfidele@gmail.com.; Department of Pharmaceutical Chemistry, Martin-Luther University of Halle-Wittenberg, Kurt-Mothes Str. 3, 06120, Halle (Saale), Germany. ntiekfidele@gmail.com.; Institut für Botanik, Technische Universität Dresden, Zellescher Weg 20b, 01062 , Dresden, Germany. ntiekfidele@gmail.com., Onguéné PA; Department of Chemistry, University Institute of Wood Technology Mbalmayo, University of Yaoundé I, BP 50, Mbalmayo, Cameroon., Lifongo LL; Department of Chemistry, Faculty of Science, University of Buea, P. O. Box 63, Buea, Cameroon., Sippl W; Department of Pharmaceutical Chemistry, Martin-Luther University of Halle-Wittenberg, Kurt-Mothes Str. 3, 06120, Halle (Saale), Germany., Fester K; Faculty of Natural and Environmental Sciences, Zittau/Görlitz University of Applied Sciences, Theodor-Körner-Allee 16, 02763, Zittau, Germany., Owono LCO; Department of Physics, Ecole Normale Supérieure, University of Yaoundé I, P. O. Box 47, Yaoundé, Cameroon. lcowono@yahoo.fr.

Publikováno v: Malaria journal [Malar J] 2020 May 18; Vol. 19 (1), pp. 183. Date of Electronic Publication: 2020 May 18.

Targeting Cysteine Proteases from Plasmodium falciparum: A General Overview, Rational Drug Design and Computational Approaches for Drug Discovery.

Autor: Bekono BD; University of Yaounde I, Advanced Teacher Training College, Laboratory for Simulation and Molecular Biophysics, P.O. Box 47 Yaounde, Cameroon., Ntie-Kang F; Martin-Luther-Universität Halle-Wittenberg, Institute for Pharmacy, Wolfgang- Langenbeck-Str. 4, 06120 Halle (Saale), Germany.; University of Buea, Department of Chemistry P.O. Box 63, Buea, Cameroon., Owono Owono LC; University of Yaounde I, Advanced Teacher Training College, Laboratory for Simulation and Molecular Biophysics, P.O. Box 47 Yaounde, Cameroon., Megnassan E; University of Abobo-Adjame, UFR SFA, Laboratoire de Physique Fondamentale et Appliquee 02 BP 801, Abidjan 02, Cote D'Ivoire.

Publikováno v: Current drug targets [Curr Drug Targets] 2018; Vol. 19 (5), pp. 501-526.