HCV Protease

Structure-Based Lead Optimization of Enterovirus D68 2A Protease Inhibitors

36 views | Dec 13 2023

In this study, researchers elucidated the X-ray crystal structures of EV-D68 2Apro and its C107A mutant, utilized molecular dynamics simulations to predict the binding pose of telaprevir, and optimized its structure, leading to the discovery of potent 2Apro inhibitors with improved antiviral activity against Enterovirus D68. [Read the Full Post]

Cheminformatics-Based Study Identifies Potential Ebola VP40 Inhibitors

0 views | Jun 17 2023

This study identified potential lead compounds, including natural-product-derived compounds and approved drugs, that have the potential to be developed as anti-Ebola drugs, pending further experimental testing. [Read the Full Post]

Wolbachia Ferrochelatase as a potential drug target against filarial infections

91 views | Jun 16 2023

Targeting the ferrochelatase enzyme in Wolbachia's heme biosynthetic pathway presents a potential therapeutic strategy for filarial infections, leading to the discovery of four promising drug candidates that can inhibit the worms' growth and survival. [Read the Full Post]

Cheminformatics-Based Study Identifies Potential Ebola VP40 Inhibitors

37 views | May 05 2023

This study used an in silico approach to identify potential small molecule inhibitors of the Ebola virus by targeting the N-terminal domain of VP40, resulting in the identification of several natural-product-derived compounds and approved drugs with potential anti-EBOV activity that can be further explored for EVD treatment. [Read the Full Post]

Potential drug candidates as P-glycoprotein inhibitors to reverse multidrug resistance in cancer: an in silico drug discovery study

28 views | May 04 2023

This study aimed to identify potential P-glycoprotein inhibitors for the treatment of carcinoma using in silico techniques, and identified five promising drug candidates with high binding energies and good pharmacokinetic properties. [Read the Full Post]

Long-term follow-up of HCV-infected patients with end-stage chronic kidney disease after sustained virological response with direct-acting antiviral therapy

48 views | May 04 2023

The study found that although HCV cure may play a positive role in renal function in CKD stage 3b-4, long-term mortality remained high among end-stage CKD patients, with no improvement in renal function observed and a high proportion of patients requiring kidney transplantation. [Read the Full Post]

The effect of different direct antivirals on hepatic steatosis in nondiabetic and naïve hepatitis C-infected Egyptian patients

35 views | May 03 2023

This study found that achieving sustained virological response after 12 weeks of treatment with direct antiviral drugs improved the metabolic profile and reduced hepatic steatosis and fibrosis in nondiabetic, chronically infected HCV Egyptian patients naive to any form of HCV treatment, but was also associated with an increase in LDL mostly due to viral-host molecular interaction. [Read the Full Post]

Structural and functional characterization of RNA dependent RNA polymerase of Macrobrachium rosenbergii nodavirus (MnRdRp)

34 views | May 03 2023

The study provides insights into the structure and potential drug targeting of MnRdRp, the RNA-dependent RNA polymerase of the MrNV virus that causes white tail disease in farmed Macrobrachium rosenbergii. [Read the Full Post]

Dasabuvir suppresses esophageal squamous cell carcinoma growth in vitro and in vivo through targeting ROCK1

26 views | May 03 2023

The discovery that dasabuvir, an FDA-approved drug for HCV treatment, acts as a ROCK1 inhibitor and suppresses ESCC growth through blocking ROCK1/ERK signaling pathway provides a promising candidate for further investigation as an anti-cancer therapy for ESCC. [Read the Full Post]

Assessment of alteration in antiviral plasma concentration across dialysis days: computational and analytical study

35 views | May 03 2023

This study found that protein-bound uremic toxins have a lower binding affinity than directly acting antivirals, indicating a reduced liability of competitive displacement and suggesting that PBUT accumulation may have limited effect on the disposition of DAAs. [Read the Full Post]