Background: Alzheimer's disease (AD) is a very common neurodegenerative disorder in individuals over 65 years of age, however, younger individuals can also be affected due to early brain damage. Introduction: The general symptoms of this disease include progressive loss of memory, changes in behavior, deterioration of thinking, and gradual loss of ability to perform daily activities. According to the World Health Organization, dementia has affected more than 50 million people worldwide, and it is estimated that there are 10 million new cases per year, of which 70% are due to AD. Methods: This paper reported a review of scientific articles available on the internet, which discussed in silico analyzes, such as molecular docking, molecular dynamics, and quantitative structure-activity relationship (QSAR) of different classes of natural products and their derivatives published from 2016 onwards. In addition, this work reports the potential of fermented papaya preparation against oxidative stress in AD. Results: With this research, it is expected that it will highlight the most recent studies about AD, the computational analysis methods used in proposing new bioactive and their possible molecular targets, and finally, the molecules or classes of natural products involved in each study. Conclusion: Thus, studies like this can orientate new works against neurodegenerative diseases, especially AD.

Background: The emergence of a new coronavirus (CoV), named 2019-nCoV, in an outbreak located in the city of Wuhan, China, has resulted in the death more than 3,400 people this year alone and has caused worldwide alarm, particularly following previous CoV epidemics, including the Severe Acute Respiratory Syndrome (SARS) in 2003 and the Middle East Respiratory Syndrome (MERS) in 2012. No treatment currently exists for infections caused by CoVs; however, some natural products may represent potential treatment resources, such as those that contain diterpenes. Objective: This study aimed to use computational methods to perform a virtual screen (VS) of candidate diterpenes with the potential to act as CoV inhibitors. Methods: 1,955 diterpenes, derived from a Nepetoideae subfamily (Lamiaceae), were selected using the SistematX tool (https://sistematx.ufpb.br), which were used to make predictions. From the ChEMBL database, 3 sets of chemical structures were selected for the construction of predictive models. Results: The chemical structures of molecules with known activity against SARS CoV, two of which were tested for activity against specific viral proteins and one of which was tested for activity against the virus itself, were classified according to their pIC50 values [-log IC50 (mol/l)]. Conclusion: The consensus analysis approach, combining both ligand- and structure-based VSs, 19 compounds were selected as potential CoV inhibitors, including isotanshinone IIA (01), tanshinlactone (02), isocryptotanshinone (03), and tanshinketolactone (04), which did not present toxicity within the evaluated parameters.

: Natural products are compounds isolated from plants that provide a variety of lead structures for the development of new drugs by the pharmaceutical industry. The interest in these substances increases because of their beneficial effects on human health. Alzheimer's disease (AD ) affects occur in about 80% of individuals aged 65 years. AD is the most common cause of dementia in elderly people, is characterized by progressive neurodegenerative alterations, as decrease of cholinergic impulse, increased toxic effects caused by reactive oxygen species and the inflammatory process that the amyloid plaque participates. In silico studies is relevant in the process of drug discovery; through technological advances in the areas of structural characterization of molecules, computational science and molecular biology have contributed to the planning of new drugs used against neurodegenerative diseases. Considering the social impairment caused by increased incidence of disease and that there is no chemotherapy treatment effective against the AD; several compounds are studied. In the researches for effective neuroprotectants as potential treatments for Alzheimer's disease, natural products that have been extensively studied in various AD models. This study aims to carry out a literature review with articles that address the In silico studies of natural products aimed at potential drugs against alzheimer's disease (AD) in the period from 2015 to 2021.

Background: Neglected diseases require special attention when looking for new therapeutic alternatives, as these are diseases of extreme complexity and severity that affect populations belonging to lower social classes who are lacking access to basic rights such as basic sanitation. Introduction: Among the alternatives available for obtaining new drugs is Medicinal Chemistry, which is responsible for the discovery, identification, invention and preparation of prototypes. In this perspective, the present work aims to make a bibliographic review on the recent studies of Medicinal Chemistry applied to neglected diseases. Method: A literature review was carried out by searching the “Web of Sciences” database, including recent articles published in the Neglected Drug Design. Results: In general, it was noticed that the most studied neglected diseases corresponded to Chagas disease and leishmaniasis, with studies on organic synthesis, optimization of structures and molecular hybrids being the most used strategies. It is also worth mentioning the growing number of computationally developed studies, providing speed and optimization of costs in the procurement process. Conclusion: The CADD approach and organic synthesis studies, when applied in the area of Medicinal Chemistry proved to be important in the research and discovery of drugs for Neglected Diseases, since the planning of the experimental methodology used to obtain it, as well as in the selection of compounds with greater activity potential.

O estado da arte de derivados da LausonaThe state of the art of Lausone derivatives