Journal of
Computational Biology and Bioinformatics Research

  • Abbreviation: J. Comput. Biol. Bioinform. Res
  • Language: English
  • ISSN: 2141-2227
  • DOI: 10.5897/JCBBR
  • Start Year: 2009
  • Published Articles: 41

Full Length Research Paper

Computational prediction of small molecules targeting Lassa fever drug target using quantitative structure activity relationship (QSAR) and random forest algorithm

Angela Makolo
  • Angela Makolo
  • Computer Science Department, University of Ibadan, Ibadan, Oyo State, Nigeria.
  • Google Scholar
Pelumi Stephen Gboyega
  • Pelumi Stephen Gboyega
  • ICT and Bioinformatics Department, National Biotechnology Development Agency, Ilorin, Kwara State, Nigeria.
  • Google Scholar


  •  Received: 08 December 2023
  •  Accepted: 28 February 2024
  •  Published: 31 March 2024

References

Abdel-ilah L, Veljovi? E, Gurbeta L, Badnjevi? A (2017). Applications of QSAR Study in Drug Design. International Journal of Engineering Research and Technology 6(06):582-587.

 

Alberga D, Trisciuzzi D, Montaruli M, Leonetti F, Mangiatordi GF, Nicolotti O (2019). A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL). Journal of Chemical Information and Modeling 59(1):586-596.
Crossref

 

Arefin A, Hossen S, Islam T, Islam A, Biswas P, Nu A (2021). Target specificity of selective bioactive compounds in blocking α-dystroglycan receptor to suppress Lassa virus infection: an in silico approach. Free full text Target specificity of selective bioactive compounds in blocking α- dystroglycan receptor to suppress Lassa virus infection: an in silico approach. Journal of biomedical research 35(6):459.

Crossref

 

Attanasi ED, Coburn TC (2023). Random Forest. In: Daya Sagar, B.S., Cheng, Q., McKinley, J., Agterberg, F. (eds) Encyclopedia of Mathematical Geosciences. Encyclopedia of Earth Sciences Series. Springer, Cham.
Crossref

 

Bosc N, Felix E, Arcila R, Mendez D, Saunders MR, Green DVS, Ochoada J, Shelat AA, Martin EJ, Iyer P, Engkvist O, Verras A, Duffy J, Burrows J, Gardner JMF, Leach AR (2021). MAIP: a web service for predicting blood ? stage malaria inhibitors. Journal of Cheminformatics pp. 1-14.
Crossref

 

Chakravarti SK, Alla SRM (2019). Descriptor Free QSAR Modeling Using Deep Learning with Long Short-Term Memory Neural Networks. Frontiers in Artificial Intelligence 2:1-18.
Crossref

 

Creative Biolabs (2024). Recombinant Lassa IV Virus-like Particles (LASV IV VLPs). Available at:

View

 

Hasan R, Alsaiari AA, Fakhurji BZ, Habibur M, Molla R, Asseri AH, Sumon AA, Park MN, Ahammad F, Kim B (2022). Application of Mathematical Modeling and Computational tools in the modern drug design and development process. Molecules 27(13):4169.
Crossref

 

Id APS, Duvignaud A, Jaspard M, Malvy D, Carroll M, Tarning J, Olliaro PL, Horby PW (2022). Ribavirin for treating Lassa fever: A systematic review of pre-clinical studies and implications for human dosing. PLoS Neglected Tropical Diseases pp. 1-18.

 

James O (2020). Modelling and optimal control analysis of Lassa fever disease. Informatics in Medicine Unlocked 20:100419.
Crossref

 

Kikiowo B (2021). Molecular Interaction and Inhibitory Activity of Dandelion's Compounds on Nucleoprotein: A Therapeutic Intervention in Lassa Fever. Biointerface Research in Applied Chemistry 11(5):12573-12583.
Crossref

 

Klitting R, Kafetzopoulou LE, Thiery W, Dudas G, Gryseels S, Kotamarthi A, Vrancken B, Gangavarapu K, Momoh M, Sandi JD, Goba A, Alhasan F, Grant DS, Garry RF, Smither AR, Zeller M, Pauthner MG, Mcgraw M (2021). Predicting the evolution of Lassa Virus endemic area and population at risk over the next decades. Nature Communications, pp. 1-17.
Crossref

 

Kwon S, Bae H, Jo J, Yoon S (2019). Comprehensive ensemble in QSAR prediction for drug discovery. BMC Bioinformatics pp. 1-12.
Crossref

 

Minari J, Agho E, Adebiyi F, Rotimi O, Sholaja B, Adejumo J (2021). Molecular Docking and Identification of Candidate Blockers for Endonuclease Domain of Lassa Virus Polymerase as Potential Drugs. Journal of Applied Sciences and Environmental Management 25(11):1899-1907.
Crossref

 

Makolo AU, Ajiboye F (2023). Prediction of Genomic Signature of Ngs Sequences and Comparative Drug-Likeness. American Scientific Research Journal for Engineering, Technology and Sciences 90(1):573-589.

 

Nantasenamat C, Isarankura-Na-Ayudhya C, Prachayasittikul V (2010). Advances in computational methods to predict the biological activity of compounds. Expert Opinion on Drug Discovery 5(7):633-654.
Crossref

 

Oloniniyi OK, Unigwe US, Okada S, Kimura M, Koyano S, Miyazaki Y, Yasuda J. (2016). Genetic characterization of Lassa virus strains isolated from 2012 to 2016 in southeastern Nigeria Author summary.

 

Simeon S, Anuwongcharoen N, Shoombuatong W (2016). Probing the origins of human acetylcholinesterase inhibition via QSAR modeling and molecular docking.
Crossref

 

Tan E, Sze C, Chin H, Feng Z, Lim S, Ng SK (2021). HEK293 Cell Line as a Platform to Produce Recombinant Proteins and Viral Vectors. Frontiers in Bioengineering and Biotechnology 9:1-9.
Crossref

 

Ursu O, Rayan A, Goldblum A, Oprea T (2011). Understanding drug? likeness. Wiley Interdisciplinary Reviews: Computational Molecular Science.
Crossref