Identification of potential dipeptidyl peptidase IV inhibitors from the ConMedNP library by virtual screening, and molecular dynamics methods

Autor: Hans Merlin Tsahnang Fofack, Maraf Mbah Bake, Simon Petry, Baruch A. Ateba, Pascal Amoa Onguéné, Haydar Mohammad-Salim, Fidele Ntie-Kang, Luc Meva'a Mbaze, Serhii Vakal, Cyril A Kenfack

Publikováno v: Heliyon, Vol 10, Iss 15, Pp e35191- (2024)

In this study, we screened novel dipeptidyl peptidase IV (DPP4) inhibitors from the ConMedNP library consisting of 3507 molecules. Interestingly, molecular docking, ADMET, and the anti-diabetic activity predictions suggest that three molecules, namel

Externí odkaz: https://doaj.org/article/60434f540bfd4bf3a8958ceb87148e76

Virtual Screening Identifies Chebulagic Acid as an Inhibitor of the M2(S31N) Viral Ion Channel and Influenza A Virus

Autor: Maggie C. Duncan, Pascal Amoa Onguéné, Ibuki Kihara, Derrick N. Nebangwa, Maya E. Naidu, David E. Williams, Aruna D. Balgi, Kerstin Andrae-Marobela, Michel Roberge, Raymond J. Andersen, Masahiro Niikura, Fidele Ntie-Kang, Ian Tietjen

Publikováno v: Molecules, Vol 25, Iss 12, p 2903 (2020)

The increasing prevalence of drug-resistant influenza viruses emphasizes the need for new antiviral countermeasures. The M2 protein of influenza A is a proton-gated, proton-selective ion channel, which is essential for influenza replication and an es

Externí odkaz: https://doaj.org/article/fc76e550588444198bd70b98aa4a91fc

Screening of the Pan-African natural product library identifies ixoratannin A-2 and boldine as novel HIV-1 inhibitors.

Autor: Ian Tietjen, Fidele Ntie-Kang, Philip Mwimanzi, Pascal Amoa Onguéné, Margaret A Scull, Thomas Oyebode Idowu, Abiodun Oguntuga Ogundaini, Luc Mbaze Meva'a, Berhanu M Abegaz, Charles M Rice, Kerstin Andrae-Marobela, Mark A Brockman, Zabrina L Brumme, David Fedida

Publikováno v: PLoS ONE, Vol 10, Iss 4, p e0121099 (2015)

The continued burden of HIV in resource-limited regions such as parts of sub-Saharan Africa, combined with adverse effects and potential risks of resistance to existing antiretroviral therapies, emphasize the need to identify new HIV inhibitors. Here

Externí odkaz: https://doaj.org/article/b91ee5438af0424b8ce2e79377ca7d95

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.

Virtualizing the p-ANAPL library: a step towards drug discovery from African medicinal plants.

Autor: Ntie-Kang F; Department of Chemistry, Chemical and Bioactivity Information Centre, Faculty of Science, University of Buea, Buea, Cameroon., Amoa Onguéné P; Department of Chemistry, Faculty of Science, University of Douala, Douala, Cameroon., Fotso GW; Department of Organic Chemistry, University of Yaoundé I, Yaoundé, Cameroon., Andrae-Marobela K; Department of Biological Sciences, University of Botswana, Gaborone, Botswana., Bezabih M; Department of Chemistry, University of Botswana, Gaborone, Botswana., Ndom JC; Department of Chemistry, Faculty of Science, University of Douala, Douala, Cameroon., Ngadjui BT; Department of Pharmaceutical Sciences and Traditional Pharmacopeia, Faculty of Medicine and Biomedical Sciences, University of Yaoundé I, Yaoundé, Cameroon., Ogundaini AO; Department of Pharmaceutical Chemistry, Obafemi Awolowo University, Ile-Ife, Nigeria., Abegaz BM; Academy of Sciences, Nairobi, Kenya., Meva'a LM; Department of Chemistry, Faculty of Science, University of Douala, Douala, Cameroon.

Publikováno v: PloS one [PLoS One] 2014 Mar 05; Vol. 9 (3), pp. e90655. Date of Electronic Publication: 2014 Mar 05 (Print Publication: 2014).