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In-silico discovery of Dipeptidyl Peptidase-4 inhibitors from African medicinal plants: Molecular docking, ADMET, dynamics simulation, and MM-GBSA analyses

Ishola Abeeb Akinwumi; Amgad M. Rabie; Kalpana Katiyar; Adeola Ajayi; Ridwan Opeyemi Bello; Abdullahi Tunde Aborode; Abu Tayab Moin; Jannatul Ferdoush; Adedeji Ogunyemi; Precious Etinosa; Abraham Osinuga; Babatunde Samuel Obadawo; Victoria Gbonjubola Awolola; Aeshah Ali Ahmad Awaji; Haruna Isiyaku Umar; Ridwan Olamilekan Adesola; Waheed Sakariyau Adio; Bisi Olajumoke Adeoye; Oluwatosin M. Adeyemo; Anne Adebukola Adeyanju; Akinola Olusegun Oyewole; Jane Aruorivwooghene Ibude; Oluwatope Richard Ojo; Abdullahi Jamiu; Isreal Ayobami Onifade
The Nucleus · Vol. 69, Issue 1 · pp. 75-97 · 2026

Abstract

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Bibliographic Information

JournalThe Nucleus
PublisherSpringer
Publication Date2026-03-01
Publication Year2026
Volume69
Issue1
Pages75-97
Document TypeJournal Article
Print ISSN0029-568X
eISSN0976-7975
DOI10.1007/s13237-024-00526-x

Access Information

NARA Access Coverage2010-01-01~Current
Journal Homepagehttps://www.springer.com/journal/13237
Publisher PageOpen Publisher Page
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