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Homology Modeling and Virtual Screening Studies of Antigen MLAA-42 Protein: Identification of Novel Drug Candidates against Leukemia—An In Silico Approach
Joint Authors
Shehadi, Ihsan A.
Rashdan, Huda R. M.
Abdelmonsef, Aboubakr H.
Source
Computational and Mathematical Methods in Medicine
Issue
Vol. 2020, Issue 2020 (31 Dec. 2020), pp.1-12, 12 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2020-03-16
Country of Publication
Egypt
No. of Pages
12
Main Subjects
Abstract EN
Monocytic leukemia-associated antigen-42 (MLAA-42) is associated with excessive cell division and progression of leukemia.
Thus, human MLAA-42 is considered as a promising target for designing of new lead molecules for leukemia treatment.
Herein, the 3D model of the target was generated by homology modeling technique.
The model was then evaluated using various cheminformatics servers.
Moreover, the virtual screening studies were performed to explore the possible binding patterns of ligand molecules to MLAA’s active site pocket.
Thirteen ligand molecules from the ChemBank™ database were identified as they showed good binding affinities, scaffold diversity, and preferential ADME properties which may act as potent drug candidates against leukemia.
The study provides the way to identify novel therapeutics with optimal efficacy, targeting MLAA-42.
American Psychological Association (APA)
Shehadi, Ihsan A.& Rashdan, Huda R. M.& Abdelmonsef, Aboubakr H.. 2020. Homology Modeling and Virtual Screening Studies of Antigen MLAA-42 Protein: Identification of Novel Drug Candidates against Leukemia—An In Silico Approach. Computational and Mathematical Methods in Medicine،Vol. 2020, no. 2020, pp.1-12.
https://search.emarefa.net/detail/BIM-1139602
Modern Language Association (MLA)
Shehadi, Ihsan A.…[et al.]. Homology Modeling and Virtual Screening Studies of Antigen MLAA-42 Protein: Identification of Novel Drug Candidates against Leukemia—An In Silico Approach. Computational and Mathematical Methods in Medicine No. 2020 (2020), pp.1-12.
https://search.emarefa.net/detail/BIM-1139602
American Medical Association (AMA)
Shehadi, Ihsan A.& Rashdan, Huda R. M.& Abdelmonsef, Aboubakr H.. Homology Modeling and Virtual Screening Studies of Antigen MLAA-42 Protein: Identification of Novel Drug Candidates against Leukemia—An In Silico Approach. Computational and Mathematical Methods in Medicine. 2020. Vol. 2020, no. 2020, pp.1-12.
https://search.emarefa.net/detail/BIM-1139602
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1139602