In vitro and in silico evaluation of the anti-leishmania activity of synthetic chalcones

被引：0

作者：

Leite, Fernando Ferreira ^{[1
]}

Rodrigues, Luis Cezar ^{[2
]}

de Oliveira, Bruno Hanrry Melo ^{[1
]}

Duarte, Gabrielly Diniz ^{[2
]}

Ferreira, Maria Denise Leite ^{[1
]}

de Sousa, Natalia Ferreira ^{[1
]}

Vanderley, Shayenne Eduarda Ramos ^{[1
,3
]}

Cardoso, Leonardo Lima ^{[1
,3
]}

Keesen, Tatjana Souza Lima ^{[1
,3
]}

de Araujo, Rodrigo Santos Aquino ^{[1
,4
]}

Scotti, Luciana ^{[1
]}

Scotti, Marcus Tullius ^{[1
]}

Mendonca-Junior, Francisco Jaime Bezerra ^{[1
,4
]}

机构：

[1] Univ Fed Paraiba, Postgrad Program Nat & Synthet Bioact Prod, Joao Pessoa, Brazil

[2] Univ Fed Paraiba, Postgrad Program Dev & Innovat Drugs & Med, Joao Pessoa, Brazil

[3] Univ Fed Paraiba, Dept Cellular & Mol Biol, Lab Infect Dis Immunol, Joao Pessoa, PB, Brazil

[4] State Univ Paraiba, Dept Biol Sci, Synth & Drug Delivery Lab, Joao Pessoa, Brazil

来源：

NATURAL PRODUCT RESEARCH | 2024年

关键词：

Chalcones; anti-leishmania activity; cytotoxicity; molecular docking; molecular dynamics; MEAN-SQUARE-DEVIATION; CYP51; TARGETS;

D O I：

10.1080/14786419.2024.2401499

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Leishmaniasis is a group of neglected, vector-borne infectious diseases that affect millions of people around the world. The medications available for its treatment, especially in cases of visceral leishmaniasis, are old, outdated and have serious side effects. In this work, 10 chalcones were synthesised and evaluated in vitro against promastigotes and axenic amastigotes of Leishmania infantum. Compounds CP04 and CP06 were the most promising, respectively presenting IC50 values = 13.64 +/- 0.25 and 11.19 +/- 0.22 mu M against promastigotes, and IC50 = 18.92 +/- 0.05 and 22.42 +/- 0.05 mu M against axenic amastigotes. Only compound CP04 did not show cytotoxicity against peripheral blood mononuclear cells (PBMCs). Molecular docking studies conducted with sterol 14-alpha demethylase (CYP-51) (PDB: 3L4D) and trypanothione reductase (PDB: 5EBK) enzymes from L. infantum evidenced the great affinity of compound CP04 for these targets, presenting Moldock score values of -94.0758 and -50.5692 KJ/mol-1.

引用

页数：12

共 50 条

[21] Anti-Leishmania activity of new ruthenium(II) complexes: Effect on parasite-host interaction
Costa, Monica S.
Goncalves, Yasmim G.
Nunes, Debora C. O.
Napolitano, Danielle R.
Maia, Pedro I. S.
Rodrigues, Renata S.
Rodrigues, Veridiana M.
Von Poelhsitz, Gustavo
Yoneyama, Kelly A. G.
JOURNAL OF INORGANIC BIOCHEMISTRY, 2017, 175 : 225 - 231
[22] Nerolidol, the main constituent of Piper aduncum essential oil, has anti-Leishmania braziliensis activity
Ceole, Ligia Fernanda
Cardoso, Maria Das Gracas
Soares, Maurilio Jose
PARASITOLOGY, 2017, 144 (09) : 1179 - 1190
[23] Alkylated Benzoquinones: Ardisiaquinones A-H from the Leaves of Ardisia quinquegona and Their Anti-Leishmania Activity
Asaumi, Shintaro
Kawakami, Susumu
Sugimoto, Sachiko
Matsunami, Katsuyoshi
Otsuka, Hideaki
Shinzato, Takakazu
CHEMICAL & PHARMACEUTICAL BULLETIN, 2018, 66 (07) : 757 - 763
[24] Chalcones: As Potent α-amylase Enzyme Inhibitors; Synthesis, In Vitro, and In Silico Studies
Ali, Mahboob
Khan, Momin
Zaman, Khair
Wadood, Abdul
Iqbal, Maryam
Alam, Aftab
Shah, Sana
Rehman, Ashfaq Ur
Yousaf, Muhammad
Rafique, Rafaila
Khan, Khalid Mohammed
MEDICINAL CHEMISTRY, 2021, 17 (08) : 903 - 912
[25] Anticancer Activity of Chalcones and Its Derivatives: Review and In Silico Studies
Leite, Fernando Ferreira
de Sousa, Natalia Ferreira
Melo de Oliveira, Bruno Hanrry
Duarte, Gabrielly Diniz
Leite Ferreira, Maria Denise
Scotti, Marcus Tullius
Barbosa Filho, Jose Maria
Rodrigues, Luis Cezar
de Moura, Ricardo Olimpio
Bezerra Mendonca-Junior, Francisco Jaime
Scotti, Luciana
MOLECULES, 2023, 28 (10):
[26] Synthesis of Chalcones, Screening In silico and In vitro and Evaluation of Helicobacter pylori Adhesion by Molecular Docking
Romagna, Rodrigo de Almeida
dos Santos, Reginaldo Bezerra
Goncalves, Rita de Cassia Ribeiro
Kitagawa, Rodrigo Rezende
CURRENT PHARMACEUTICAL DESIGN, 2024, 30 (42) : 3350 - 3366
[27] The Anti-Leishmania amazonensis and Anti-Leishmania chagasi Action of Copper(II) and Silver(I) 1,10-Phenanthroline-5,6-dione Coordination Compounds
Oliveira, Simone S. C.
Santos, Vanessa S. S.
Devereux, Michael
McCann, Malachy
Santos, Andre L. S.
Branquinha, Marta H. H.
PATHOGENS, 2023, 12 (01):
[28] Annotation of Alkaloids of Fusaea longifolia and Evaluation of Anti-Plasmodium Activity in vitro and in silico
Adriao, Asenate A. X.
da Silva, Carlos V. A.
Araujo, Morgana S.
Paz, Weider H. P.
de Medeiros, Livia S.
da Silva, Felipe M. A.
Bezerra, Daniel P.
Salimo, Zeca M.
Monteiro, Wuelton M.
de Melo, Gisely C.
Costa, Emmanoel V.
Tavares, Josean F.
Koolen, Hector H. F.
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY, 2024, 35 (07)
[29] In silico and in vitro comparative activity of novel experimental derivatives against Leishmania major and Leishmania infantum promastigotes
Khademvatan, Shahram
Adibpour, Neda
Eskandari, Alborz
Rezaee, Saeed
Hashemitabar, Mahmoud
Rahim, Fakher
EXPERIMENTAL PARASITOLOGY, 2013, 135 (02) : 208 - 216
[30] Anti-Leishmania amazonensis Activity, Cytotoxic Features, and Chemical Profile of Allium sativum (Garlic) Essential Oil
Garcia, Andreza R.
Amorim, Mariana M. B.
Amaral, Ana Claudia F.
da Cruz, Jefferson D.
Vermelho, Alane B.
Nico, Dirlei
Rodrigues, Igor A.
TROPICAL MEDICINE AND INFECTIOUS DISEASE, 2023, 8 (07)

← 1 2 3 4 5 →