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Computer Aided Drug Design and its Application to the Development of Potential Drugs for Neurodegenerative Disorders.
Curr Neuropharmacol. 2018; 16(6):740-748.CN

Abstract

BACKGROUND

Neurodegenerative disorders (NDs) are diverse group of disorders characterized by escalating loss of neurons (structural and functional). The development of potential therapeutics for NDs presents an important challenge, as traditional treatments are inefficient and usually are unable to stop or retard the process of neurodegeneration. Computer-Aided Drug Design (CADD) has emerged as an efficient means of developing candidate drugs for the treatment of many disease types. Applications of CADD approach to drug discovery are progressing day by day. The recent tendency in drug design is to rationally design potent therapeutics with multi-targeting effects, higher efficacies, and fewer side effects, especially in terms of toxicity.

METHODS

A wide literature search was performed for writing this review. An updated view on different types of NDs, their effect on human population and a brief introduction to CADD, various approaches involved in this technique, ranging from structural-based to ligand-based drug design has been discussed. The successful application of CADD approaches for the treatment of neurodegenerative disorders is also included in this review.

RESULTS

In this review, we have briefly described about CADD and its use in the development of the therapeutic drug candidates against NDs. The successful applications, limitations and future prospects of this approach have also been discussed.

CONCLUSION

CADD can assist researchers studying interactions between drugs and receptors. We believe this review will be helpful for better understanding of CADD and its applications towards the discovery of new drug candidates against various fatal NDs.

Authors+Show Affiliations

Department of Medical Biotechnology, Yeungnam University, Gyeongsan, Korea.Department of Medical Biotechnology, Yeungnam University, Gyeongsan, Korea.Department of Medical Biotechnology, Yeungnam University, Gyeongsan, Korea.School of computation and Integrative Sciences, Jawaharlal Nehru University, New Delhi-110067, IndiaDepartment of Medical Biotechnology, Yeungnam University, Gyeongsan, Korea.

Pub Type(s)

Journal Article
Review

Language

eng

PubMed ID

29046156

Citation

Baig, Mohammad Hassan, et al. "Computer Aided Drug Design and Its Application to the Development of Potential Drugs for Neurodegenerative Disorders." Current Neuropharmacology, vol. 16, no. 6, 2018, pp. 740-748.
Baig MH, Ahmad K, Rabbani G, et al. Computer Aided Drug Design and its Application to the Development of Potential Drugs for Neurodegenerative Disorders. Curr Neuropharmacol. 2018;16(6):740-748.
Baig, M. H., Ahmad, K., Rabbani, G., Danishuddin, M., & Choi, I. (2018). Computer Aided Drug Design and its Application to the Development of Potential Drugs for Neurodegenerative Disorders. Current Neuropharmacology, 16(6), 740-748. https://doi.org/10.2174/1570159X15666171016163510
Baig MH, et al. Computer Aided Drug Design and Its Application to the Development of Potential Drugs for Neurodegenerative Disorders. Curr Neuropharmacol. 2018;16(6):740-748. PubMed PMID: 29046156.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Computer Aided Drug Design and its Application to the Development of Potential Drugs for Neurodegenerative Disorders. AU - Baig,Mohammad Hassan, AU - Ahmad,Khurshid, AU - Rabbani,Gulam, AU - Danishuddin,Mohd, AU - Choi,Inho, PY - 2017/01/17/received PY - 2017/09/24/revised PY - 2017/10/10/accepted PY - 2017/10/20/pubmed PY - 2018/10/5/medline PY - 2017/10/20/entrez KW - CADD KW - LBDD KW - NDs KW - QSAR KW - SBDD KW - homology modeling KW - molecular docking. SP - 740 EP - 748 JF - Current neuropharmacology JO - Curr Neuropharmacol VL - 16 IS - 6 N2 - BACKGROUND: Neurodegenerative disorders (NDs) are diverse group of disorders characterized by escalating loss of neurons (structural and functional). The development of potential therapeutics for NDs presents an important challenge, as traditional treatments are inefficient and usually are unable to stop or retard the process of neurodegeneration. Computer-Aided Drug Design (CADD) has emerged as an efficient means of developing candidate drugs for the treatment of many disease types. Applications of CADD approach to drug discovery are progressing day by day. The recent tendency in drug design is to rationally design potent therapeutics with multi-targeting effects, higher efficacies, and fewer side effects, especially in terms of toxicity. METHODS: A wide literature search was performed for writing this review. An updated view on different types of NDs, their effect on human population and a brief introduction to CADD, various approaches involved in this technique, ranging from structural-based to ligand-based drug design has been discussed. The successful application of CADD approaches for the treatment of neurodegenerative disorders is also included in this review. RESULTS: In this review, we have briefly described about CADD and its use in the development of the therapeutic drug candidates against NDs. The successful applications, limitations and future prospects of this approach have also been discussed. CONCLUSION: CADD can assist researchers studying interactions between drugs and receptors. We believe this review will be helpful for better understanding of CADD and its applications towards the discovery of new drug candidates against various fatal NDs. SN - 1875-6190 UR - https://www.unboundmedicine.com/medline/citation/29046156/Computer_Aided_Drug_Design_and_its_Application_to_the_Development_of_Potential_Drugs_for_Neurodegenerative_Disorders_ L2 - https://www.ingentaconnect.com/openurl?genre=article&issn=1570-159X&volume=16&issue=6&spage=740&aulast=Baig DB - PRIME DP - Unbound Medicine ER -