Cheminformatics-driven discovery of natural isoquinoline alkaloid inhibitors of Beta-secretase I for Alzheimer's management.

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Title: Cheminformatics-driven discovery of natural isoquinoline alkaloid inhibitors of Beta-secretase I for Alzheimer's management.
Authors: Ahmad I; Department of Biochemistry, Bahauddin Zakariya University, Multan, Pakistan., Waheed S; Department of Biochemistry, Bahauddin Zakariya University, Multan, Pakistan., Alotaibi BS; Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Al- Quwayiyah, Shaqra University, Riyadh, Saudi Arabia., Abbasi SW; Department of Biological Sciences, National University of Medical Sciences, Rawalpindi, Pakistan., Khan MU; Institute of Molecular Biology and Biotechnology, The University of Lahore, Lahore, Pakistan., Rahman FU; Department of Zoology, University of Shangla, Swat, Khyber Pakhtunkhwa, Pakistan., Dib H; College of Engineering and Technology, American University of the Middle East, Kuwait., Fawy KF; Department of Chemistry, Faculty of Science, Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha, Saudi Arabia., Nishan U; Department of Chemistry, Kohat University of Science & Technology, Kohat, Pakistan., Ali A; Department of Zoology, Abdul Wali Khan University Mardan, Mardan, Pakistan., Zaman A; Department of Biochemistry, Bahauddin Zakariya University, Multan, Pakistan.; Department of Microbiology & Molecular Genetics, Bahauddin Zakariya University, Multan, Pakistan., Shah M; Department of Biochemistry, Bahauddin Zakariya University, Multan, Pakistan.; Department of Animal Science, Federal University of Ceara, Fortaleza, Brazil.
Source: PloS one [PLoS One] 2026 Mar 02; Vol. 21 (3), pp. e0343717. Date of Electronic Publication: 2026 Mar 02 (Print Publication: 2026).
Publication Type: Journal Article
Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE
Database: MEDLINE Ultimate
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ISSN:1932-6203
DOI:10.1371/journal.pone.0343717