EventsMOL2NET'23, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 9th ed.
Published
This submission belongs to the session 01. CHEMBIO.INFO-09: Cheminfo., Chemom., Comput. Quantum Chem. & Bioinfo. Congress München, GR-Chapel Hill, USA, 2023. of the event MOL2NET'23, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 9th ed.
Published date
15 Jun, 2023
Academic Editor
author-avatarMOL2NET team
Citation
Alex FM Monteiro, Adiel Soares Ferreira, Mini review: Molecular docking: an expanded summary on anticancer activity of oxadiazole derivatives, in Proceedings of MOL2NET'23, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 9th ed., 25 December–31 December 2023, MDPI: Basel, Switzerland
Share
Email
Facebook
Twitter
LinkedIn

Mini review: Molecular docking: an expanded summary on anticancer activity of oxadiazole derivatives

Adiel Soares Ferreira 1
image
1. Postgraduate Program in Chemistry - Federal Rural University of Pernambuco - UFRPE - Recife - PE.
2. Postgraduate Program in Bioactive Natural and Synthetic Products, Federal University of Paraíba, Castelo Branco - João Pessoa - Brazil.
Abstract

Cancer is one of the main causes of death in the world, this disease is characterized by the uncontrolled proliferation of mutant cells, by their ability to spread throughout the body through the invasion of blood or lymphatic vessels, and by inducing the process of angiogenesis and metastasis. According to the world health organization, in the year 2020 there were about 19.3 million cases, in 2040, this number could reach 30.2 million new cases. The search for new drugs for the treatment of this disease has been motivating generations of researchers, in organic chemistry heterocyclics appear as an alternative compound to be explored due to their oxygen and nitrogen atoms in their nucleus. In this summary we will report two works on oxadiazole, the same has been studied because its derivatives have different biological activities, some of these biological activities can be predicted using the molecular docking technique, this technology allows simulating the interaction of the molecule against different proteins and predicting the possibility of molecules presenting biological activities, the use of molecular docking is very important to have a brief interpretation of the behavior of the molecule in the studied organism. This present study aims to bring two different articles that present the molecular docking technique in oxadiazole derivatives aiming at antitumor activity.

Keywords
oxadiazole
Molecular docking
anticancer
heterocyclics
in silico
Manuscript
AIMOFGIFT: Towards AI-Driven Metal Organic Framework Drug Delivery Systems Design
Mini review: In silico study of potentials inhibitors of the enzyme shikimate kinase of Mycobacterium tuberculosis using molecular docking