Title:In silico Studies on Natural Products and Derivatives against Different
Types of Cancer
Volume: 31
Issue: 7
关键词:
分子对接，胶质母细胞瘤，肺癌，结肠癌，乳腺癌，前列腺癌，分子动力学。
摘要: According to the World Health Organization (WHO), cancer is the second
cause of death worldwide, responsible for almost 10 million deaths and accounting for one
in every six deaths. It is a disease that can affect any organ or tissue with rapid progression
to the final stage, which is metastasis, in which the disease spreads to different regions
of the body. Many studies have been carried out to find a cure for cancer. Early diagnosis
contributes to the individual achieving the cure; however, deaths are increasing
considerably due to late diagnosis. Thus, this bibliographical review discussed several scientific
research works pointing to in silico analyses in the proposition of new antineoplastic
agents for glioblastoma, breast, colon, prostate, and lung cancer, as well as some of
their respective molecular receptors involved in molecular docking simulations and molecular
dynamics. This review involved articles describing the contribution of computational
techniques for the development of new drugs or already existing drugs with biological
activity; thus, important data were highlighted in each study, such as the techniques
used, results obtained in each study, and the conclusion. Furthermore, 3D chemical structures
of the molecules with the best computational response and significant interactions
between the tested molecules and the PDB receptors were also presented. With this, it is
expected to help new research in the fight against cancer, the creation of new antitumor
drugs, and the advancement of the pharmaceutical industry and scientific knowledge
about studied tumors.
