Computer-Aided Biochemical Research

Article of the week:

The interaction and mechanism of monoterpenes with tyramine receptor (SoTyrR) of rice weevil (𝘚𝘪𝘵𝘰𝘱𝘩𝘪𝘭𝘶𝘴 𝘰𝘳𝘺𝘻𝘢𝘦)

Authors of this article are from the Institute of Chemistry, University of the Philippines Diliman. This article is a great example of how computers can assist researchers in studying agricultural chemistry. Molecular modelling techniques employed in this paper include ensemble docking, 3DQSAR analysis, in silico toxicity evaluation.

Ocampo, A.B., Braza, M.K.E. & Nellas, R.B. The interaction and mechanism of monoterpenes with tyramine receptor (SoTyrR) of rice weevil (𝘚𝘪𝘵𝘰𝘱𝘩𝘪𝘭𝘶𝘴 𝘰𝘳𝘺𝘻𝘢𝘦). SN Appl. Sci. 2, 1592 (2020). https://doi.org/10.1007/s42452-020-03395-6

You can access this free article using the link below:
https://pubs.rsc.org/en/content/articlepdf/2021/cs/d0cs01065k

This review article provides an overview on how computational tools and methodologies help in hastening the drug discovery for COVID-19. It discusses the following sections:

1. Possible target for antiviral drugs
2. Structure-based drug discovery approaches
3. Ligand-based drug discovery approaches

Due to the pandemic, less students have access to conduct wet laboratory experiments. Researches that can be done at the comfort of our homes are one of the possible alternatives. Computer-aided researches, such as drug design, pesticide design, vaccine design, etc. are examples of studies that college students can perform. However, we do not imply that computational research is enough to address all scientific problems. Laboratory experiments should still confirm the results of the computations and should be in constant communication with each other.

In line with the objectives of this page, we will post journal articles that is relevant and try to appreciate the role of computational biochemistry in addressing some of the scientific problems. Like and share this page to your fellow scientists and together, we will learn. Chow!

Are you a young researcher who wants to include computations on your research about proteins? Worry no more! We are offering computational biochemistry jobs that you need in your research. Message this page about your research problem that you want to add some computations and we got you covered!

Services include the following (either paid or co-authorship):
- Homology modelling
- Molecular Docking
- Molecular Dynamics Simulation (up to 100 ns)
- QSAR and ADMET Prediction
- Mutagenesis Study