Molecules (2019)
Update date:2022-08-30
Topics:
Stevanovic, Strahinja
Sencanski, Milan
Danel, Mathieu
Menendez, Christophe
Belguedj, Roumaissa
Bouraiou, Abdelmalek
Nikolic, Katarina
Cojean, Sandrine
Loiseau, Philippe M.
Glisic, Sanja
Baltas, Michel
García-Sosa, Alfonso T.
Due to the lack of approved vaccines against human leishmaniasis and the limitations of the current chemotherapy inducing side effects and drug resistance, development of new, effective chemotherapeutic agents is essential. This study describes the synthesis of a series of novel oxadiazoles and indolizine-containing compounds. The compounds were screened in silico using an EIIP/AQVN filter followed by ligand-based virtual screening and molecular docking to parasite arginase. Top hits were further screened versus human arginase and finally against an anti-target battery to tag their possible interactions with proteins essential for the metabolism and clearance of many substances. Eight candidate compounds were selected for further experimental testing. The results show measurable in vitro anti-leishmanial activity for three compounds. One compound with an IC50 value of 2.18 μM on Leishmania donovani intramacrophage amastigotes is clearly better positioned than the others as an interesting molecular template for further development of new anti-leishmanial agents.
View MoreFOSHAN NANHAI ZHONGNAN PHARMACEUTICAL FACTORY
Contact:0086-0757-85609331
Address:XIAHENGTIAN INDUSTRIAL ZONE,SHAYONG VILLAGE,LISHUI TOWN
Nanjing HuiBaiShi Biotechnology Co.,Ltd.
Contact:+86 (25)58745219
Address:No.606 Ningliu Road,LiuHe District.
Qingdao XinYongAn Chemicals Co., Ltd
Contact:+86-532-81107967
Address:Chengyang dual-port industrial park by the sea,Qingdao
Shanghai Potomer International Trade CO., LTD
Contact:+86-21-61397128
Address:Room 304,No.505 ,Caoyang Road.Shanghai,China
Fuxin Jintelai Fluorin Chemical Co., Ltd.
Contact:+86-0418-8229599
Address:, 7th Huagong Road, Fluorine industry development zone (Yimatu Town,Fumeng County),Fuxin City, Liaoning Province, China
Doi:10.1021/om400574a
(2013)Doi:10.1246/cl.1972.595
(1972)Doi:10.1016/j.molliq.2017.01.010
(2017)Doi:10.1055/s-0037-1610720
(2019)Doi:10.1002/ardp.19863190614
(1986)Doi:10.1016/S0020-1693(00)82445-7
(1984)