Falcipain 2

Last update 23 Jan 2025

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100 Clinical Results associated with Falcipain 2

100 Translational Medicine associated with Falcipain 2

0 Patents (Medical) associated with Falcipain 2

192

Literatures (Medical) associated with Falcipain 2

09 Dec 2024·Journal of Biomolecular Structure and Dynamics

Revelation of potential drug targets of luteolin in Plasmodium falciparum through multi-target molecular dynamics simulation studies

Article

Author: Aswin, Keerthic ; Chetia, Dipak ; Zothantluanga, James H. ; Rajkhowa, Sanchaita ; Umar, Abd. Kakhar

In-silico techniques offer a fast, accurate, reliable, and economical approach to studying the molecular interactions between compounds and proteins. In this study, our main aim is to use in-silico techniques as a rational approach for the prediction of the molecular drug targets for luteolin against Plasmodium falciparum. Multi-target molecular docking, 100 nanoseconds (ns) molecular dynamics (MD) simulations, and Molecular Mechanics-Generalized Born Surface Area (MM-GBSA) binding free energy calculations were carried out for luteolin against dihydrofolate reductase thymidylate synthase (PfDHFR-TS), dihydroorotate dehydrogenase (PfDHODH), and falcipain-2. The native ligands of each protein were used as a reference to evaluate the performance of luteolin. Luteolin outperformed the native ligands of all proteins at molecular docking and MD simulations studies. However, in the MM-GBSA calculations, luteolin outperformed the native ligand of only PfDHFR-TS but not PfDHODH and falcipain-2. Among the studied proteins, the in-silico approach predicted PfDHFR-TS as the most favorable drug target for luteolin.Communicated by Ramaswamy H. Sarma.

23 Aug 2024·Current Medicinal Chemistry

Therapeutic Targeting and Role of Cysteine Proteases in the Life Cycle of Malaria Parasite

Article

Author: Gupta, Sonal ; Abid, Mohammad ; Singh, Shailja ; Arora, Smriti ; Ara, Anam ; Thaer Abdulhameed, Haider ; Uddin, Amad

The malaria parasite Plasmodium expresses four related papain-family cysteine proteases. Targeting these different cysteine proteases can elucidate their roles and potential as therapeutic targets, thereby expanding the pool of antimalarial targets. During gametogenesis, cysteine proteases like SERA-5, SERA-3, DPAP-1, DPAP-2, DPAP- 3, and Falcipain-1 are required for parasitophorous vacuole membrane (PVM) rupture. In the liver stage, cysteine proteases such as Falcipain-1 and SERA-3, SERA-4, SERA-5, and SERA-6 are essential. Additionally, cysteine proteases like DPAP-3, Falcipain- 1, Falcipain-2, Falcipain-3, and SERA-5, SERA-6 play crucial roles in merozoite invasion into red blood cells (RBCs), hemoglobin degradation, and merozoite release from RBCs. This review summarizes the available literature describing the key roles of various cysteine proteases in the life cycle of the malaria parasite and their potential as targets for antimalarial therapy. Understanding these proteases could aid in developing novel antimalarial treatments and overcoming drug resistance.

01 Aug 2024·Bioorganic & Medicinal Chemistry Letters

Design, synthesis and molecular docking study of novel triazole–quinazolinone hybrids as antimalarial and antitubercular agents

Article

Author: Haval, Nitin B ; Choudhari, Prafulla B ; Kumari, Jyothi ; Rathod, Sanket S ; Bondle, Giribala M ; Mhetre, Udhav V ; Sriram, Dharmarajan ; Haval, Kishan P

In a quest to discover new antimalarial and antitubercular drugs, we have designed and synthesized a series of novel triazole-quinazolinone hybrids. The in vitro screening of the triazole-quinazolinone hybrid entities against the plasmodium species P. falciparum offered potent antimalarial molecules 6c, 6d, 6f, 6g, 6j & 6k owing comparable activity to the reference drugs. Furthermore, the target compounds were evaluated in vitro against Mycobacterium tuberculosis (MTB) H37Rv strain. Among the screened compounds, 6c, 6d and 6l were found to be the most active molecules with a MIC values of 19.57-40.68 μM. The cytotoxicity of the most active compounds was studied against RAW 264.7 cell line by MTT assay and no toxicity was observed. The computational study including drug likeness and ADMET profiling, DFT, and molecular docking study was done to explore the features of target molecules. The compounds 6a, 6g, and 6k exhibited highest binding affinity of -10.3 kcal/mol with docked molecular targets from M. tuberculosis. Molecular docking study indicates that all the molecules are binding to the falcipain 2 protease (PDB: 6SSZ) of the P. falciparum. Our findings indicated that these new triazole-quinazolinone hybrids may be considered hit molecules for further optimization studies.

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Falcipain 2

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