Estudo in silico de diterpenos isolados de Portulaca pilosa L e sua correlação com estudos etnobotânicos

Brandão, Dayse Lúcia do Nascimento; Martins, Hanna Patrícia dos Santos; Tomaz, Jéssica Melissa Oliveira; Ferreira, Gleison Gonçalves; Ferreira, Gleison Gonçalves; Percário, Sandro; Dolabela, Maria Fâni

doi:10.33448/rsd-v9i11.10635

Cited by 2 publications

References 33 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

In silico studies on cytotoxicity and antitumoral activity of acetogenins from Annona muricata L

Fallon Adido,

Silva Chagas,

Ferreira

et al. 2023

Front. Chem.

Self Cite

View full text Add to dashboard Cite

As life expectancy increases, the number of people affected by cancer is increasing. The available drugs still cause several adverse reactions, and it is important to look for less toxic drugs that act on resistant cancers. The present study evaluated the antitumor potential of acetogenins. Through a literature review, 44 acetogenins isolated from Annona muricata were selected and subjected to in silico studies to predict the physicochemical properties, pharmacokinetics (Preadmet and Admet lab), toxicity (Preadmet and Protox II) and molecular docking in caspase 3 (DockThor). For muricatacin, a literature review was carried out for antitumor activity and cytotoxicity. Only muricatacin met all physicochemical criteria, while all compounds showed high cutaneous and intestinal absorption (HIA), moderate permeability in Madin-Darby canine kidney and Caco2 cells, strongly bound plasma proteins, freely crossed the blood-brain barrier, inhibited CYP2C19, CYP2C9 and CYP3A4 and have an affinity for CYP3A4, being metabolized by it, an undesirable characteristic for antitumor drugs. All compounds were toxic in at least one model, while compound 28 was not carcinogenic in rats and mice. Compounds 13, 14, 15, 16, 17 and 28 were selected for molecular docking into Caspase 3. Docking showed hydrophobic interactions, hydrogen and covalent bonds performed to maintain the stability of caspase 3, and cis-uvariamicin IV stood out more through the energies and chemical bonds of this parameter. The chloroform fraction from the methanolic extract of the seeds showed activity against triple-negative breast cancer, both in vitro and in vivo, and only muricatacin has studies in which the antitumor activity was evaluated in vitro and showed to be very promising. In summary, muricatacin and cis-uvariamicin IV appear to be very promising as antitumors, especially cis-uvariamicin IV.

show abstract

In silico studies on cytotoxicity and antitumoral activity of acetogenins from Annona muricata L

Fallon Adido,

Silva Chagas,

Ferreira

et al. 2023

Front. Chem.

Self Cite

View full text Add to dashboard Cite

show abstract

Co-Crystallization of Plant-Derived Antimalarial Drugs: An Alternate Technique for Improved Physicochemical Qualities and Antimalarial Drug Synergy

Makuvara¹

2023

Drug Formulation Design

View full text Add to dashboard Cite

Malaria is a complex disease associated with a variety of epidemiology and clinical symptoms worldwide. Despite the availability of a variety of antimalarial medications, national policies of many countries advocate for a single-medication first-line therapy for the majority of clinical malaria symptoms. However, the studies revealed that using multiple first-line medicines against malaria works more effectively. In this scenario, single-target monotherapy approaches have difficulties since malaria symptoms are seldom caused by single molecular entities. The current work is based on the critical literature review and primary sources as well as secondary databases. The chapter outline is as follows: (1) main antimalarial plant-derived active pharmaceutical ingredients (APD-APIs), (2) limitations of single APD-APIs and shift to multiple first-line therapies in malaria treatment, (3) techniques in the development and properties of APD-APIs co-crystals. The search for novel plant-derived antimalarial medicines and the development of antimalarial co-crystals are essential in the fight against antimalarial drug resistance.

show abstract

Estudo in silico de diterpenos isolados de Portulaca pilosa L e sua correlação com estudos etnobotânicos

Cited by 2 publications

References 33 publications

In silico studies on cytotoxicity and antitumoral activity of acetogenins from Annona muricata L

In silico studies on cytotoxicity and antitumoral activity of acetogenins from Annona muricata L

Co-Crystallization of Plant-Derived Antimalarial Drugs: An Alternate Technique for Improved Physicochemical Qualities and Antimalarial Drug Synergy

Contact Info

Product

Resources

About