Artificial intelligence in antidiabetic drug discovery: The advances in QSAR and the prediction of α-glucosidase inhibitors.

Autor: Odugbemi AI; South African Medical Research Council Bioinformatics Unit, South African National Bioinformatics Institute, University of the Western Cape, Bellville, Cape Town 7535, South Africa.; School of Pharmacy, University of the Western Cape, Bellville, Cape Town 7535, South Africa.; National Institute for Theoretical and Computational Sciences (NITheCS), South Africa., Nyirenda C; Department of Computer Science, University of the Western Cape, Cape Town 7535, South Africa., Christoffels A; South African Medical Research Council Bioinformatics Unit, South African National Bioinformatics Institute, University of the Western Cape, Bellville, Cape Town 7535, South Africa.; Africa Centres for Disease Control and Prevention, African Union, Addis Ababa, Ethiopia., Egieyeh SA; School of Pharmacy, University of the Western Cape, Bellville, Cape Town 7535, South Africa.; National Institute for Theoretical and Computational Sciences (NITheCS), South Africa.

Publikováno v: Computational and structural biotechnology journal [Comput Struct Biotechnol J] 2024 Jul 06; Vol. 23, pp. 2964-2977. Date of Electronic Publication: 2024 Jul 06 (Print Publication: 2024).

The role and potential of computer-aided drug discovery strategies in the discovery of novel antimicrobials.

Autor: Oselusi SO; DSI/Mintek Nanotechnology Innovation Centre (NIC), Biolabels Node, Department of Biotechnology, University of the Western Cape, Private Bag X17, Bellville, Cape Town, 7535, South Africa., Dube P; DSI/Mintek Nanotechnology Innovation Centre (NIC), Biolabels Node, Department of Biotechnology, University of the Western Cape, Private Bag X17, Bellville, Cape Town, 7535, South Africa., Odugbemi AI; South African Medical Research Council Bioinformatics Unit, South African National Bioinformatics Institute, University of the Western Cape, Cape Town, 7535, South Africa., Akinyede KA; Department of Science Technology, Biochemistry Unit, The Federal Polytechnic P.M.B.5351, Ado Ekiti, 360231, Nigeria., Ilori TL; School of Pharmacy, University of the Western Cape, Bellville, Cape Town, 7535, South Africa., Egieyeh E; School of Pharmacy, University of the Western Cape, Bellville, Cape Town, 7535, South Africa., Sibuyi NR; DSI/Mintek Nanotechnology Innovation Centre (NIC), Biolabels Node, Department of Biotechnology, University of the Western Cape, Private Bag X17, Bellville, Cape Town, 7535, South Africa., Meyer M; DSI/Mintek Nanotechnology Innovation Centre (NIC), Biolabels Node, Department of Biotechnology, University of the Western Cape, Private Bag X17, Bellville, Cape Town, 7535, South Africa., Madiehe AM; DSI/Mintek Nanotechnology Innovation Centre (NIC), Biolabels Node, Department of Biotechnology, University of the Western Cape, Private Bag X17, Bellville, Cape Town, 7535, South Africa., Wyckoff GJ; School of Pharmacy, Division of Pharmacology and Pharmaceutical Sciences, University of Missouri, Kansas City, MO, 64110-2446, United States., Egieyeh SA; School of Pharmacy, University of the Western Cape, Bellville, Cape Town, 7535, South Africa. Electronic address: segieyeh@uwc.ac.za.

Publikováno v: Computers in biology and medicine [Comput Biol Med] 2024 Feb; Vol. 169, pp. 107927. Date of Electronic Publication: 2024 Jan 02.

GC-MS chemical profiling, antioxidant, anti-diabetic, and anti-inflammatory activities of ethyl acetate fraction of Spilanthes filicaulis (Schumach. and Thonn.) C.D. Adams leaves: experimental and computational studies.

Autor: Ojo OA; Phytomedicine, Molecular Toxicology, and Computational Biochemistry Research Laboratory (PMTCB-RL), Department of Biochemistry, Bowen University, Iwo, Nigeria., Ogunlakin AD; Phytomedicine, Molecular Toxicology, and Computational Biochemistry Research Laboratory (PMTCB-RL), Department of Biochemistry, Bowen University, Iwo, Nigeria., Gyebi GA; Department of Biochemistry, Bingham University, Karu, Nigeria., Ayokunle DI; Department of Pure and Applied Biology, Bowen University, Iwo, Nigeria., Odugbemi AI; Phytomedicine, Molecular Toxicology, and Computational Biochemistry Research Laboratory (PMTCB-RL), Department of Biochemistry, Bowen University, Iwo, Nigeria., Babatunde DE; Department of Anatomy, Bowen University, Iwo, Nigeria., Ajayi-Odoko OA; Department of Microbiology, Bowen University, Iwo, Nigeria., Iyobhebhe M; Department of Biochemistry, Landmark University, Omu-Aran, Nigeria., Ezea SC; Department of Pharmacognosy and Environmental Medicine, University of Nigeria, Nsukka, Nigeria., Akintayo CO; Department of Physiology, Afe Babalola University, Ado-Ekiti, Nigeria., Ayeleso A; Phytomedicine, Molecular Toxicology, and Computational Biochemistry Research Laboratory (PMTCB-RL), Department of Biochemistry, Bowen University, Iwo, Nigeria.; Department of Life and Consumer Sciences, School of Agriculture and Life Sciences, University of South Africa, Roodepoort, South Africa., Ojo AB; Department of Biochemistry, Ekiti State University, Ado-Ekiti, Nigeria., Ojo OO; Department of Biochemistry, Ekiti State University, Ado-Ekiti, Nigeria.

Publikováno v: Frontiers in pharmacology [Front Pharmacol] 2023 Jul 20; Vol. 14, pp. 1235810. Date of Electronic Publication: 2023 Jul 20 (Print Publication: 2023).

Unveiling the Inhibitory Potentials of Peptidomimetic Azanitriles and Pyridyl Esters towards SARS-CoV-2 Main Protease: A Molecular Modelling Investigation.

Autor: Mushebenge AG; Drug Research and Innovation Unit, Discipline of Medical Biochemistry, School of Laboratory Medicine and Medical Science, University of KwaZulu-Natal, Durban 4000, South Africa., Ugbaja SC; Drug Research and Innovation Unit, Discipline of Medical Biochemistry, School of Laboratory Medicine and Medical Science, University of KwaZulu-Natal, Durban 4000, South Africa., Mtambo SE; Drug Research and Innovation Unit, Discipline of Medical Biochemistry, School of Laboratory Medicine and Medical Science, University of KwaZulu-Natal, Durban 4000, South Africa., Ntombela T; Catalysis and Peptide Research Unit, School of Pharmaceutical Sciences, University of KwaZulu-Natal, Durban 4000, South Africa., Metu JI; National Institute for Nigerian Languages, Aba 453106, Nigeria., Babayemi O; Cloneshouse Nigeria, 6th Floor, Left Wing, NICON Plaza, Plot 242, Muhammadu Buhari Way, Central Business District, Abuja 900103, Nigeria., Chima JI; Drug Research and Innovation Unit, Discipline of Medical Biochemistry, School of Laboratory Medicine and Medical Science, University of KwaZulu-Natal, Durban 4000, South Africa., Appiah-Kubi P; Drug Research and Innovation Unit, Discipline of Medical Biochemistry, School of Laboratory Medicine and Medical Science, University of KwaZulu-Natal, Durban 4000, South Africa., Odugbemi AI; South African National Bioinformatics Institute, Faculty of Natural Sciences, University of the Western Cape, Cape Town 7535, South Africa., Ntuli ML; Department of Mathematics, Faculty of Applied Science, Durban University of Technology, Durban 4000, South Africa., Khan R; Drug Research and Innovation Unit, Discipline of Medical Biochemistry, School of Laboratory Medicine and Medical Science, University of KwaZulu-Natal, Durban 4000, South Africa., Kumalo HM; Drug Research and Innovation Unit, Discipline of Medical Biochemistry, School of Laboratory Medicine and Medical Science, University of KwaZulu-Natal, Durban 4000, South Africa.

Publikováno v: Molecules (Basel, Switzerland) [Molecules] 2023 Mar 14; Vol. 28 (6). Date of Electronic Publication: 2023 Mar 14.