Identification of prodigious and under-privileged structural features for RG7834 analogs as Hepatitis B virus expression inhibitor

AbstractIn the present work, QSAR (quantitative structure −activity relationship) analysis has been executed for RG7834 analogs. RG7834 is a first-in-class selective and orally available dihydroquinolizinone (DHQ)-based small molecule Hepatitis B virus expression inhibitor. OECD’s guidelines have been followed for developing multiple QSAR models for He patitis B virus expression inhibitory activity of 73 RG7834 analogs. The present multiple QSAR models are not only easily interpretable but possess high external predictive ability, as well. These are effective in the recognition of many privileged and underprivileged molecular descriptors, which co uld be very valuable for the use of these models by the experts and nonexperts of QSAR in future optimizations. The models satisfy threshold values for many fitting, internal and external validation parameters, such asR2 = 0.83,Q2 = 0.80, CCCext = 0.88, etc., thereby demonstrating good external predictive ability of the models. The multiple QSAR and pharmacophoric models successfully identified a good number of important positively and negatively related structural features of RG7834 analogs that govern their Hepatitis B virus expressi on inhibitory activity. The results could be very beneficial to synthetic/medicinal chemists for future alterations of RG7834 analogs as better drug candidates.
Source: Medicinal Chemistry Research - Category: Chemistry Source Type: research

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Authors: Twumasi C, Asiedu L, Nortey ENN Abstract Several mathematical and standard epidemiological models have been proposed in studying infectious disease dynamics. These models help to understand the spread of disease infections. However, most of these models are not able to estimate other relevant disease metrics such as probability of first infection and recovery as well as the expected time to infection and recovery for both susceptible and infected individuals. That is, most of the standard epidemiological models used in estimating transition probabilities (TPs) are not able to generalize the transition esti...
Source: Interdisciplinary Perspectives on Infectious Diseases - Category: Infectious Diseases Tags: Interdiscip Perspect Infect Dis Source Type: research
In conclusion, circulating microRNAs, particularly the miR-125b, may serve as promising biomarkers for the early diagnosis of HBV-related HCC. However, larger and more rigorous studies are needed to confirm our conclusions.
Source: Journal of Cancer - Category: Cancer & Oncology Authors: Tags: Research Paper Source Type: research
Conclusions: Different outcomes in OS or PFS with respect to gender only exist in BCLC stage 0-B HBV-related HCC patients. Female patients have a better outcome than male patients in BCLC stage 0-B.
Source: Journal of Cancer - Category: Cancer & Oncology Authors: Tags: Research Paper Source Type: research
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Source: Journal of Cancer - Category: Cancer & Oncology Authors: Tags: Research Paper Source Type: research
Background: Hepatitis B virus infection had been identified its relationship with liver diseases, including liver tumors. We aimed to explore diagnostic and prognostic values between the Human Leukocyte Antigen (HLA) complex and hepatocellular carcinoma (HCC).Methods: We used the GSE14520 dataset to explore diagnostic and prognostic significance between HLA complex and HCC. A nomogram was constructed to predict survival probability of HCC prognosis. Gene set enrichment analysis was explored using gene ontologies and metabolic pathways. Validation of prognostic values of the HLA complex was performed in the Kaplan-Meier Plo...
Source: Journal of Cancer - Category: Cancer & Oncology Authors: Tags: Research Paper Source Type: research
Conclusions: HCC patients carrying a defective allele of ALDH2 had a favorable postoperative outcome.
Source: Journal of Cancer - Category: Cancer & Oncology Authors: Tags: Research Paper Source Type: research
Conclusions: Key biomarkers and pathways identified in the present study may enhance the comprehend of the molecular mechanisms underlying hepatocarcinogenesis. Additionally, mRNA expression of PRC1 and TOP2A may serve as potential diagnostic and prognostic biomarkers for HBV-related HCC.
Source: Journal of Cancer - Category: Cancer & Oncology Authors: Tags: Research Paper Source Type: research
Gene methylation is an epigenetic alteration in hepatocellular carcinoma (HCC), and hepatitis B virus (HBV) plays a crucial role in carcinogenesis of HCC. However, the association between gene methylation and HBV infection in HCC remains unclear. In our study, we conducted a comprehensive meta-analysis to evaluate the association. A total of 1,148 studies were initially retrieved from some literature database. After a four-step filtration, we obtained 69 case-control studies in this meta-analysis. Our results showed six genes (p16, RASSF1A, GSTP1, APC, p15 and SFRP1) in HBV-positive carcinoma tissues, one gene (GSTP1) in H...
Source: Journal of Cancer - Category: Cancer & Oncology Authors: Tags: Research Paper Source Type: research
Publication date: Available online 12 December 2019Source: Journal of the Formosan Medical AssociationAuthor(s): Chien-Lin Chen, Wei-Chuan Chang, Ching-Sheng Hsu
Source: Journal of the Formosan Medical Association - Category: General Medicine Source Type: research
ConclusionsShort-term use of pradefovir was well tolerated. A decline in HBV DNA levels was superior to TDF at higher doses of pradefovir. 30–60 mg pradefovir is recommended for CHB treatment.Clinical trial numberCTR20150224.
Source: Antiviral Therapy - Category: Virology Source Type: research
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