Neoechinulin A as a Promising SARS-CoV-2 Mpro Inhibitor: In Vitro and In Silico Study Showing the Ability of Simulations in Discerning Active from Inactive Enzyme Inhibitors

The COVID-19 pandemic and its continuing emerging variants emphasize the need to discover appropriate treatment, where vaccines alone have failed to show complete protection against the new variants of the virus. Therefore, treatment of the infected cases is critical. This paper discusses the bio-guided isolation of three indole diketopiperazine alkaloids, neoechinulin A (1), echinulin (2), and eurocristatine (3), from the Red Sea-derived Aspergillus fumigatus MR2012. Neoechinulin A (1) exhibited a potent inhibitory effect against SARS-CoV-2 M^pro with IC₅₀ value of 0.47 μM, which is comparable to the reference standard GC376. Despite the structural similarity between the three compounds, only 1 showed a promising effect. The mechanism of inhibition is discussed in light of a series of extensive molecular docking, classical and steered molecular dynamics simulation experiments. This paper sheds light on indole diketopiperazine alkaloids as a potential structural motif against SARS-CoV-2 M^pro. Additionally, it highlights the potential of different molecular docking and molecular dynamics simulation approaches in the discrimination between active and inactive structurally related M^pro inhibitors.     

Microbial populations associated with the retting of melon pods ( Colocynthis citrullus L.) during seed recovery

The traditional process for the retting of melon pulp and microbiological characteristics in the recovery of melon seeds ( Colocynthis citrullus L.) were investigated. Melon pods were sliced open and exposed for seven days. The pulp underwent a natural fermentation that was characterised by the growth of microorganisms to 108–1010 cfu/g. The pH fluctuated between 4.8 and 5.1 with a lactic acid content of 0.72%. Bacillus subtilis, B. polymyxa, Lactobacillus fermentum, L. brevis and Streptococcus faecalis were the predominant microorganisms but, significant contributions were made by Staphylococcus saprophyticus and Enterobacter cloacae. Penicillium, Aspergillus and Rhizopus species including the yeasts, Sacharomyces cerevisiae Candida krusei and Deboromyces hansenii were isolated from the fermentation. Growth of microorganisms was completely inhibited in antibiotic-treated samples indicating that the melon pods were the main source of microorganisms for the fermentation.     

Inhibition study of red rice polyphenols on pancreatic α-amylase activity by kinetic analysis and molecular docking

This study sought to investigate the possible inhibition mechanism of red rice polyphenols (RRP) on pancreatic α-amylase (PA) activity. RRP showed strong inhibition against PA activity and the half-inhibitory concentration (IC₅₀) value was 3.61 μg/mL. The fluorescence quenching of PA by RRP was a combination of static quenching and dynamic quenching. RRP could aggregate with PA and the physiochemical properties of the aggregates were closely related to the concentration of RRP. Kinetic analysis suggested that the inhibition mode of RRP on PA was reversible inhibition, which was a mixing of competitive inhibition and noncompetitive inhibition. Molecular docking speculated that RRP could form hydrogen bonds with PA by binding to the catalytic active sites (ASP197, GLU233 and ASP300) and the microenvironments of TRP58 and TRP59 were altered, thus inhibiting PA activity.     

不同基质对西藏林芝地区杂交兰‘春蕙’品种光合和生理指标的影响

在西藏林芝地区,利用当地常见的腐熟牛粪和羊粪、柳树下采集的腐殖土、半腐熟的玉米和油菜秸秆以及碎石为材料,根据各种材料的特点设计出5个不同的基质配方,以单纯腐殖土作为对照,对杂交兰‘春蕙’品种进行盆栽试验。综合叶绿素含量、净光合速率、气孔导度、蒸腾速率和干物质的积累量等指标来看,腐殖土∶碎石=3∶1是‘春蕙’品种更适宜的基质配方,可在西藏林芝地区推广应用。     

基质和炼苗方法对春石斛试管苗假植的影响

以4个品种的春石斛为材料,研究了不同的假植基质和不同的炼苗时间和方法对春石斛试管苗假植成活率和初始生长的影响。结果表明,所涉及的基质中,水苔的成活率最高,而炼苗方法以封瓶炼10 d再开瓶炼1 d最佳。     

不同基质对闭鞘姜生长发育和光合作用的影响

采用随机区组设计,研究不同配比的红壤、泥炭、椰糠和珍珠岩6种基质配方对闭鞘姜生长的影响。测定6种基质的物理和化学性质,观测萌芽率、叶片数、茎粗、株高、株幅、光合日变化、根茎鲜重和根茎干重。结果显示,基质S4（泥炭+椰糠+珍珠岩=1∶2∶2）的植株净光合速率（P_n）显著高于其他基质处理。在6种基质生长的植株叶片净光合速率曲线呈单峰或双峰变化,而蒸腾速率曲线呈单峰变化。最大株高、最大根茎鲜重和根茎干重也出现在基质S4种植的植株。从以上结果可知,基质S4比较适合闭鞘姜的生长和根状茎干物质积累。     

Characterization of ACE Inhibitory Peptides Prepared from Pyropia pseudolinearis Protein

More than 7000 red algae species have been classified. Although most of them are underused, they are a protein-rich marine resource. The hydrolysates of red algal proteins are good candidates for the inhibition of the angiotensin-I-converting enzyme (ACE). The ACE is one of the key factors for cardiovascular disease, and the inhibition of ACE activity is related to the prevention of high blood pressure. To better understand the relationship between the hydrolysates of red algal proteins and the inhibition of ACE activity, we attempted to identify novel ACE inhibitory peptides from Pyropia pseudolinearis. We prepared water soluble proteins (WSP) containing phycoerythrin, phycocyanin, allophycocyanin, and ribulose 1,5-bisphosphate carboxylase/oxygenase. In vitro analysis showed that the thermolysin hydrolysate of the WSP had high ACE inhibitory activity compared to that of WSP. We then identified 42 peptides in the hydrolysate by high-performance liquid chromatography and mass spectrometry. Among 42 peptides, 23 peptides were found in chloroplast proteins. We then synthesized the uncharacterized peptides ARY, YLR, and LRM and measured the ACE inhibitory activity. LRM showed a low IC₅₀ value (0.15 μmol) compared to ARY and YLR (1.3 and 5.8 μmol). In silico analysis revealed that the LRM sequence was conserved in cpcA from Bangiales and Florideophyceae, indicating that the novel ACE inhibitory peptide LRM was highly conserved in red algae.     

不同育苗基质下咖啡种间嫁接苗生长及光合特性

以大粒种咖啡(Caffea liberica)1号为砧木、中粒种咖啡(Caffea canephora)热研1号高产无性系为接穗形成种间嫁接苗,以棕榈叶+表土、棕榈叶+椰糠和椰糠+表土不同比例配置基质,比较不同处理下嫁接苗的根系形态、光合特性、生物量及苗木质量指数,筛选适宜育苗基质.结果表明:以棕榈叶+表土体积比1:0...     

甬优17机插种植表现及高产配套技术

通过试验以及高产示范,分析了不同育秧基质和水稻壮秧剂用量对机插稻秧苗的影响,以及不同机插密度的增产效果。小结了甬优17机插栽培的种植表现和高产栽培技术。     

设施番茄无土栽培矿质元素养分变化动态

通过无土栽培试验,测定番茄各个时期叶片中Ca、Mg、Fe、Mn、Cu、Zn的含量,旨在发现番茄各时期矿质元素的吸收规律。结果表明:用不同基质配方栽培,除Mg以外,番茄叶片中其他元素的含量没有极显著性差异。番茄叶片中的Ca元素在整个生长期内呈先下降后迅速升高的趋势,最高出现在移栽后180 d,为18.410 1 mg.g-1,最低出现在移栽后60 d,为4.789 8 mg.g-1;Mg元素含量在波动中上升,最高出现在移栽后180 d,为30.515 1 mg.g-1,最低出现在移栽后60 d,为12.637 8 mg.g-1;Fe呈上升趋势,最高出现在移栽后240 d,为0.478 7 mg.g-1,最低出现在移栽后60 d,为0.193 8 mg.g-1;Mn元素含量在波动中上升,最高出现在移栽后240 d,为65.942 9μg.g-1,最低出现在移栽后,为40.928 6μg.g-1;Cu元素含量先迅速下降,后迅速上升,最高出现在移栽后300 d,为13.785 7μg.g-1,最低出现在移栽后240 d,为5.3143μg.g-1;Zn元素含量呈先升高、后降低、后期又升高的趋势,最高出现在移栽后120...