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Prediction of antiviral activity, cytotoxicity risks and molecular docking against HIV of constituents from marine algae
1 , 1 , 1 , 1 , 1 , 1 , 2 , 2, 3 , * 4, 5
1  Postgraduate Program in Bioactive Natural and Synthetic Products, Federal University of Paraíba, Castelo Branco - João Pessoa - Brazil
2  Federal University of Paraíba, Health Sci. Center, 50670-910, João Pessoa, PB, Brazil
3  Teaching and Research Management - University Hospital, Federal University of Paraíba, João Pessoa, PB, Brazil
4  Postgraduate Program in Bioactive Natural and Synthetic Products, Federal University of Paraíba, Castelo Branco - João Pessoa - Brazil.
5  Postgraduate Program in Chemistry - Federal Rural University of Pernambuco - UFRPE - Recife - PE.
Academic Editor: Humbert G. Díaz


The Human Immunodeficiency Virus has been
affecting people for years. Leading patients to
acquire several other diseases due to weakening
of the immune system. The use of metabolites
from marine algae have antiviral activities.
Therefore, this work analyzed among 40
molecules, originating from algae, through in
silico techniques, with the objective of proposing
a promising molecule with possible HIV
inhibitory activity.

The disease caused by the Human Immunodeficiency Virus (HIV) has infected people for over 50 years. Currently, 37.7 million people live with the virus, among these 150,000 people were infected with
the HIV virus only in the year 2020, in addition 73% of people use drug therapy with retrovirals.
Therefore, it is important to investigate new possible drugs, one of these ways is through computational
The oceans have an enormous biodiversity, with biological sources rich in bioactive molecules,
since the pharmaceutical and cosmetic industries seek technological innovations, numerous marine
sources have been the object of study.
Among these are marine algae that are divided into macroscopic and microscopic. Both are rich
in secondary metabolites that have great pharmacological potential. Seaweeds already have several
studies on their broad biological activities such as: antimicrobial, anticancer, antiallergic, antioxidant,
anticoagulant, antidiabetic, antiparasitic, anti-inflammatory and antiviral.
Thus, this work aimed to analyze the possible inhibitory activity of molecules present in
seaweeds in proteins present in HIV.

Keywords: Chemoinformatics, algae, molecular docking, Knime, in sico
Comments on this paper
Humbert G. Díaz
Dear authors thank you for your support to the conference.
Now we closed the publication phase and launched the post-publication phase of the conference.
REVIEWWWERS'08 Brainstorming Workshop is Now Open from 2023-Jan-01 to 2023-Jan-31.
MOL2NET Committee, Authors, and Validated Social Media Followers Worldwide ...
Invited to Post Moderated Questions/Answers, Comments, about papers.
These are my Questions (Q) to you, please kindly post your public Answers (A) below
to promote scientific discussion and training of conference readers :

Q1. Have you further verified the 40 molecules selected in ChEMBL database for possible pre-clinical assays as Anti-HIV compounds or other activities of these molecules or their derivatives?

Q2. Have you considered to sending the 8 selected molecules for experimental testing?

Thank you for your kind support. Please make questions to other papers in different Mol2Net congresses
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