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Current Therapeutic Molecules and Targets in Neurodegenerative Diseases Based on in silico Drug Design.
Curr Neuropharmacol. 2018; 16(6):649-663.CN

Abstract

BACKGROUND

As the number of elderly persons increases, neurodegenerative diseases are becoming ubiquitous. There is currently a great need for knowledge concerning management of oldage neurodegenerative diseases; the most important of which are: Alzheimer's disease, Parkinson's disease, Amyotrophic Lateral Sclerosis, and Huntington's disease.

OBJECTIVE

To summarize the potential of computationally predicted molecules and targets against neurodegenerative diseases.

METHOD

Review of literature published since 1997 against neurodegenerative diseases, utilizing as keywords: in silico, Alzheimer's disease, Parkinson's disease, Amyotrophic Lateral Sclerosis ALS, and Huntington's disease was conducted.

RESULTS AND CONCLUSION

Due to the costs associated with experimentation and current ethical law, performing experiments directly on living organisms has become much more difficult. In this scenario, in silico techniques have been successful and have become powerful tools in the search to cure disease. Researchers use the Computer Aided Drug Design pipeline which: 1) generates 3- dimensional structures of target proteins through homology modeling 2) achieves stabilization through molecular dynamics simulation, and 3) exploits molecular docking through large compound libraries. Next generation sequencing is continually producing enormous amounts of raw sequence data while neuroimaging is producing a multitude of raw image data. To solve such pressing problems, these new tools and algorithms are required. This review elaborates precise in silico tools and techniques for drug targets, active molecules, and molecular docking studies, together with future prospects and challenges concerning possible breakthroughs in Alzheimer's, Parkinson's, Amyotrophic Lateral Sclerosis, and Huntington's disease.

Authors+Show Affiliations

State Key Laboratory of Biomembrane and Membrane Biotechnology, Institute of Zoology, Chinese Academy of Sciences; Beijing, China. Department of Biosciences, COMSATS Institute of Information Technology, Sahiwal, Pakistan. University of Chinese Academy of Sciences, Beijing, China.University of Chinese Academy of Sciences, Beijing, China. National Laboratory of Biomacromolecules, Institute of Biophysics; Chinese Academy of Sciences; Beijing, China.Department of Biosciences, COMSATS Institute of Information Technology, Sahiwal, Pakistan. Beijing Key Laboratory of Separation and Analysis in Biomedical and Pharmaceuticals, Department of Biomedical Engineering, School of Life Sciences, Beijing Institute of Technology, China.Department of Environmental Sciences, Quaid-e-Azam University Islamabad, Pakistan.Department of Biosciences, COMSATS Institute of Information Technology, Islamabad, Pakistan.

Pub Type(s)

Journal Article
Review

Language

eng

PubMed ID

29542412

Citation

Sehgal, Sheikh Arslan, et al. "Current Therapeutic Molecules and Targets in Neurodegenerative Diseases Based On in Silico Drug Design." Current Neuropharmacology, vol. 16, no. 6, 2018, pp. 649-663.
Sehgal SA, Hammad MA, Tahir RA, et al. Current Therapeutic Molecules and Targets in Neurodegenerative Diseases Based on in silico Drug Design. Curr Neuropharmacol. 2018;16(6):649-663.
Sehgal, S. A., Hammad, M. A., Tahir, R. A., Akram, H. N., & Ahmad, F. (2018). Current Therapeutic Molecules and Targets in Neurodegenerative Diseases Based on in silico Drug Design. Current Neuropharmacology, 16(6), 649-663. https://doi.org/10.2174/1570159X16666180315142137
Sehgal SA, et al. Current Therapeutic Molecules and Targets in Neurodegenerative Diseases Based On in Silico Drug Design. Curr Neuropharmacol. 2018;16(6):649-663. PubMed PMID: 29542412.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Current Therapeutic Molecules and Targets in Neurodegenerative Diseases Based on in silico Drug Design. AU - Sehgal,Sheikh Arslan, AU - Hammad,Mirza A, AU - Tahir,Rana Adnan, AU - Akram,Hafiza Nisha, AU - Ahmad,Faheem, PY - 2017/01/10/received PY - 2018/01/01/revised PY - 2018/03/02/accepted PY - 2018/3/16/pubmed PY - 2018/10/5/medline PY - 2018/3/16/entrez KW - In silico analysis KW - alzheimer's disease KW - amyotrophic lateral sclerosis KW - and huntington's disease KW - computer aided drug design KW - parkinson's disease. SP - 649 EP - 663 JF - Current neuropharmacology JO - Curr Neuropharmacol VL - 16 IS - 6 N2 - BACKGROUND: As the number of elderly persons increases, neurodegenerative diseases are becoming ubiquitous. There is currently a great need for knowledge concerning management of oldage neurodegenerative diseases; the most important of which are: Alzheimer's disease, Parkinson's disease, Amyotrophic Lateral Sclerosis, and Huntington's disease. OBJECTIVE: To summarize the potential of computationally predicted molecules and targets against neurodegenerative diseases. METHOD: Review of literature published since 1997 against neurodegenerative diseases, utilizing as keywords: in silico, Alzheimer's disease, Parkinson's disease, Amyotrophic Lateral Sclerosis ALS, and Huntington's disease was conducted. RESULTS AND CONCLUSION: Due to the costs associated with experimentation and current ethical law, performing experiments directly on living organisms has become much more difficult. In this scenario, in silico techniques have been successful and have become powerful tools in the search to cure disease. Researchers use the Computer Aided Drug Design pipeline which: 1) generates 3- dimensional structures of target proteins through homology modeling 2) achieves stabilization through molecular dynamics simulation, and 3) exploits molecular docking through large compound libraries. Next generation sequencing is continually producing enormous amounts of raw sequence data while neuroimaging is producing a multitude of raw image data. To solve such pressing problems, these new tools and algorithms are required. This review elaborates precise in silico tools and techniques for drug targets, active molecules, and molecular docking studies, together with future prospects and challenges concerning possible breakthroughs in Alzheimer's, Parkinson's, Amyotrophic Lateral Sclerosis, and Huntington's disease. SN - 1875-6190 UR - https://www.unboundmedicine.com/medline/citation/29542412/Current_Therapeutic_Molecules_and_Targets_in_Neurodegenerative_Diseases_Based_on_in_silico_Drug_Design_ L2 - https://www.ingentaconnect.com/openurl?genre=article&issn=1570-159X&volume=16&issue=6&spage=649&aulast=Sehgal DB - PRIME DP - Unbound Medicine ER -