Pharmacophore-Based Virtual Screening and Structural Modification of Novel Benzamide Derivatives as HBV Capsid Assembly Modulators.

Hepatitis B virus (HBV) infection is the most common cause of death from liver disease worldwide. The use of capsid assembly modulators is considered a prominent strategy for the development of novel anti-HBV therapies. We performed a pharmacophore-based virtual screening strategy, and a benzamide scaffold hit, WAI-5, was chosen for further structural optimization. A series of novel HBV capsid assembly modulators (CAMs) were found. Compared with the lead hit, the representative compounds 11g and 11n exhibited a 10-fold increase in anti-HBV activity with 50% effective concentration (EC50) values of 1.74 and 1.90 µM, respectively.

Design, synthesis and biological evaluation of caudatin and its ester derivatives as novel antitumor agents.

A series of caudatin ester derivatives were synthesized and tested for their activities against human lung cancer A549, human prostate cancer PC3, human liver cancer BEL-7402 and human gastric cancer SGC-7901 cell lines. All the compounds showed noticeable activities against the tested tumor cell lines, and the IC50s are all lower than that of caudatin. Among them, 5e and 5h are the most potent compounds. SAR study implies that introducing either a halogenated acyl group or amino aryl group to the C3ß position of caudatin is beneficial to their anti-viability activities, and the lipophilicity affects the anti-viability activity of caudatin derivatives.

Synthesis and antitumor activity of 2-aryl-1, 2, 4-triazolo[1, 5-a] pyridine derivatives.

A novel series of 2-aryl-1, 2, 4-triazolo [1, 5-a] pyridine derivatives have been synthesized and evaluated for their cytotoxic activities in vitro against Human ovarian cancer cell line (HO-8910) and Human liver cancer cell line (Bel 7402). Most compounds showed high or mediate activity against the cancer cell lines when compared with Cisplatin. Two of them were tested the apoptosis on Bel 7402.

[Cloning and sequence analysis of full-length cDNA of secoisolariciresinol dehydrogenase of Dysosma versipellis].

OBJECTIVES: To obtain the full-length cDNA sequence of Secoisolariciresinol Dehydrogenase gene from Dysosma versipellis by RACE PCR,then investigate the character of Secoisolariciresinol Dehydrogenase gene. METHODS: The full-length cDNA sequence of Secoisolariciresinol Dehydrogenase gene was obtained by 3'-RACE and 5'-RACE from Dysosma versipellis. RESULTS: We first reported the full cDNA sequences of Secoisolariciresinol Dehydrogenase in Dysosma versipellis. The acquired gene was 991bp in full length, including 5' untranslated region of 42bp, 3' untranslated region of 112bp with Poly (A). The open reading frame (ORF) encoding 278 amino acid with molecular weight 29253.3 Daltons and isolectric point 6.328. The gene accession nucleotide sequence number in GeneBank was EU573789. Semi-quantitative RT-PCR analysis revealed that the Secoisolariciresinol Dehydrogenase gene was highly expressed in stem. Alignment of the amino acid sequence of Secoisolariciresinol Dehydrogenase indicated there may be some significant amino acid sequence difference among different species. CONCLUSION: Obtain the full-length cDNA sequence of Secoisolariciresinol Dehydrogenase gene from Dysosma versipellis.