In-silico analyses of natural products on leishmania enzyme targets

Mini Reviews in Medicinal Chemistry
L ScottiM T Scotti

Abstract

Natural products are compounds that are isolated from plants, 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, which include antiviral, antiallergic, antiplatelet, anti-inflammatory, antitumor, antioxidant, and antiparasitic activities. Leishmaniasis is the infection caused by protozoa of the genus Leishmania, which affects mainly people who live in poor countries, and can cause chronic fever, liver problems, anemia, and other blood problems. Current chemotherapies against the disease cause side effects, and are ineffective. There are no vaccines, and new chemotherapeutic agents for the treatment of leishmaniasis are greatly needed. This work reports on some of the enzymatic targets studied in the development of new drugs using natural products as inhibitors for the treatment of leishmaniasis. We applied ligand-based-virtual screening using Random Forest, associated with structure-based-virtual screening (docking), of a small dataset of 683 flavonoids and derivatives from an in-house data bank to select structures with potential inhibitory activity against pyruvate kinase, an impor...Continue Reading

Citations

May 11, 2016·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Sanja GlisicAlfonso T García-Sosa
Oct 25, 2016·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Ifedayo Victor Ogungbe, William N Setzer
Dec 18, 2018·Endocrine, Metabolic & Immune Disorders Drug Targets·Luciana ScottiMarcus Tullius Scotti
Oct 28, 2019·Current Medicinal Chemistry·Luciana Scotti, Marcus T Scotti
Mar 21, 2020·Current Medicinal Chemistry·Luciana Scotti, Marcus T Scotti
Jul 11, 2018·Frontiers in Cellular and Infection Microbiology·Moisés Martínez-CastilloMineko Shibayama
Feb 6, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Gabriela Cristina Soares RodriguesLuciana Scotti
Dec 9, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Jeysson Sánchez-SuárezEricsson Coy-Barrera
Jul 18, 2020·Current Topics in Medicinal Chemistry·Gabriela Cristina Soares RodriguesMarcus Tullius Scotti
Jul 3, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Sharna-Kay Daley, Geoffrey A Cordell
Sep 10, 2021·International Immunopharmacology·Thaís Amanda de Lima NunesKlinger Antonio da Franca Rodrigues

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