The SAR-based development of small molecular HBV capsid assembly modulators

Wang, Yunwen; Wang, Shendan; Tao, Xuefen; Wang, Yuan; Wu, Yuxuan; Chen, Na; Hu, Chenxian; Wang, Hao; Yu, Shuang; Sheng, Rong

doi:10.1007/s00044-022-02936-5

Cited by 4 publications

(2 citation statements)

References 66 publications

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“…[ 11–13 ] Various CAM chemotypes have been reported in the past few years, [ 14–17 ] including heteroaryldihydropyrimidines (HAPs), [ 18,19 ] sulfamoylbenzamides (SBAs), [ 20,21 ] phenylpropenamides (PPAs), [ 22 ] and others (Figure 1). [ 23 ] According to the mechanisms, different structures of HBV CAMs are divided into two categories. The class I CAMs, represented by HAPs, misdirects core proteins to form abnormal non‐capsid structures.…”

Section: Introductionmentioning

confidence: 99%

Discovery of 5‐alkyl‐2‐pyrazol‐oxazolidin‐4‐one derivatives as novel hepatitis B virus capsid assembly modulators

Guan

Wang

et al. 2023

Archiv der Pharmazie

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The "magic methyl effect" strategy was used to design a series of 5-alkyl-2-pyrazoloxazolidin-4-one derivatives as novel hepatitis B virus (HBV) capsid assembly modulators. Most of these compounds exhibited potent HBV inhibitory activities with low cytotoxicities in HepG2.2.15 cells. The most promising compounds 9d and 10b had single-digit nanomolar IC 50 values with a high selectivity index. Compared with the lead compound (3.0%), they caused 15% and 18% decreases in HBe antigen secretion at 1.0 μM, respectively. In addition, compounds 9d and 10b possessed good pharmacokinetic profiles with oral bioavailability values of 56.1% and 48.9%, respectively. These results indicated that the two compounds were potential therapeutic agents for HBV infection.

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Section: Introductionmentioning

confidence: 99%

Discovery of 5‐alkyl‐2‐pyrazol‐oxazolidin‐4‐one derivatives as novel hepatitis B virus capsid assembly modulators

Guan

Wang

et al. 2023

Archiv der Pharmazie

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“…In recent years, various capsid assembly modulators (CAMs) with different structural scaffolds have been reported as anti-HBV drug candidates, including heteroaryldihydropyrimidines (HAPs), bis-heterocycles, sulfamoyl benzamides (SBAs), phenyl acrylamides (PPAs), pyridazinones and others. 14) Several of them have progressed into clinical research (Fig. 1).…”

Section: Introductionmentioning

confidence: 99%

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

Qin,

Wang,

Wang

et al. 2023

Biological & Pharmaceutical Bulletin

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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 (EC 50 ) values of 1.74 and 1.90 µM, respectively.

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Design, synthesis and anti-HBV activity study of novel HBV capsid assembly modulators

Liang,

Liu,

Liu

et al. 2024

Bioorganic & Medicinal Chemistry Letters

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The SAR-based development of small molecular HBV capsid assembly modulators

Cited by 4 publications

References 66 publications

Discovery of 5‐alkyl‐2‐pyrazol‐oxazolidin‐4‐one derivatives as novel hepatitis B virus capsid assembly modulators

Discovery of 5‐alkyl‐2‐pyrazol‐oxazolidin‐4‐one derivatives as novel hepatitis B virus capsid assembly modulators

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

Design, synthesis and anti-HBV activity study of novel HBV capsid assembly modulators

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