Docking Studies of HIV-1 Protease with Phytochemicals from Mappia foetida
نویسندگان
چکیده
Human immunodeficiency virus type 1 protease (HIV-1 PR) is an essential enzyme for the replication cycle of HIV. HIV-1 PR inhibitors have been extensively investigated as anti-AIDS drugs. In the presence of HIV-1 protease inhibitors, the virion is unable to mature. Natural compounds are important sources of drugs. The present investigation concentrates on discovering anti-HIV compounds that are present in Mappia foetida, a medicinal plant belonging to Icacinaceae family. Here, we selected Phytochemicals of Mappia foetidaRoot identified by the method of Gas chromatography–mass spectrometry (GC-MS Method) to dock against the enzyme HIV-1 protease (PDB ID: 3HAU). The resulted enzyme-substrate interaction energies shows that those compounds are active against HIV-1 protease and further research on plant Mappia foetida will be useful in drug designing against HIV.
منابع مشابه
Effect of Biomolecular Conformation on Docking Simulation: A Case Study on a Potent HIV-1 Protease Inhibitor
Human immunodeficiency virus infection / acquired immunodeficiency syndrome (HIV/AIDS) is a disease pertained to the human immune system. Given its crucial role in viral replication, HIV-1 protease (HIV-1 PR) is a prime therapeutic target in AIDS therapy. In this regard, the dynamic aspects of ligand-enzyme interactions may indicate an important role of conformational variability in HIV-1 PR in...
متن کاملEffect of Biomolecular Conformation on Docking Simulation: A Case Study on a Potent HIV-1 Protease Inhibitor
Human immunodeficiency virus infection / acquired immunodeficiency syndrome (HIV/AIDS) is a disease pertained to the human immune system. Given its crucial role in viral replication, HIV-1 protease (HIV-1 PR) is a prime therapeutic target in AIDS therapy. In this regard, the dynamic aspects of ligand-enzyme interactions may indicate an important role of conformational variability in HIV-1 PR in...
متن کاملTriterpene Constituents of Euphorbia Erythradenia Bioss. and their Anti-HIV Activity
Phytochemical investigation of the aerial parts of Euphorbia erythradenia Bioss. (Euphorbiaceae), one of Iranian endemic Euphorbias, with particular attention to triterpene constituents, using methanol solvent extraction was carried out. Five known triterpenes, including four cycloartanes and oleanolic acid, were isolated for the first time and identified using NMR and Mass techniques. Anti HIV...
متن کاملTriterpene Constituents of Euphorbia Erythradenia Bioss. and their Anti-HIV Activity
Phytochemical investigation of the aerial parts of Euphorbia erythradenia Bioss. (Euphorbiaceae), one of Iranian endemic Euphorbias, with particular attention to triterpene constituents, using methanol solvent extraction was carried out. Five known triterpenes, including four cycloartanes and oleanolic acid, were isolated for the first time and identified using NMR and Mass techniques. Anti HIV...
متن کاملDesign of new potent HTLV-1 protease inhibitors: in silico study
HTLV-1 and HIV-1 are two major causes for severe T-cell leukemia disease and acquired immune deficiency syndrome (AIDS). HTLV-1 protease, a member of aspartic acid protease family, plays important roles in maturation during virus replication cycle. The impairment of these proteases results in uninfectious HTLV-1virions.Similar to HIV-1protease deliberate mutations that confer drug resistance on...
متن کامل