Deciphering the seasonal dynamics of microplastic morphotypes and associated co-contaminants along the northwest coast of India.

In the present study, the northwest coast of India, bordering the Arabian Sea, was selected to evaluate the microplastic (MP) abundance. This is the first study to emphasize the effects of different seasons on MP distribution. The collected MPs were dried, segregated, and evaluated based on their morphotype, size, color, and polymer type. A total of 1756.6, 7326.6, and 202 particles/kg of sand were estimated in the pre-monsoon, monsoon and post-monsoon seasons, respectively, with a dominance of polypropylene (PP) type of plastic in the pre-monsoon and high-density polyethylene (HDPE) in monsoon and post-monsoon seasons. HDPE and PP collected MPs during the monsoon season were further characterized for associated contaminants. Metal absorbance was detected using SEM-EDX mapping and ICP-MS. The presence of organic compounds (OCs) was analyzed using GC-MS. MPs exhibit distinct associations with metals, among which the HDPE pellet morphotype exhibits a higher range of metal adsorption. Total 61 different OCs were associated with MPs. The HDPE pellets contained the highest amounts of hydrophobic organic compounds. PP pellets were found to contain triglycerides, fatty aldehydes, and alkaloids, along with HOCs. Among morphotypes, pellet forms of MPs were found to adsorb more contaminants. These co-contaminants infiltrate the study area through sewage runoff and shoreline debris deposition, subsequently interacting with MPs. Furthermore, the MP diversity was studied by employing the MP diversity integrated index, which suggests that most of the MP diversity was observed in the pre-monsoon period. The pollution load index employed an MP risk assessment, which presented a low degree of MP contamination. In contrast, the polymer hazard index was calculated as 21650.3 in post-monsoon, placing the area under the extreme danger category. It is evident from the data that the types of MP is more important than their number. Thus, MP morphotypes have importance in the adsorption of co-contaminants.

Improved production of alkaline and solvent-stable proteases from a halotolerant Exiguobacterium isolate through heterologous expression.

Halophiles are excellent sources of detergent proteases that are attributed to stability in alkaline pH, salts, surfactants, and hydrophobic solvents. The lower enzymatic yields and tedious downstream processes necessitate the search for newer halophilic sources. We have previously reported a halotolerant Exiguobacterium sp. TBG-PICH-001, which secretes solvent-tolerant alkaline protease/s. The present study describes the heterologous expression of two protease genes, namely, rsep metalloprotease (WP_195864791, 1.23 Kb) and tpa serine protease (WP_195864453, 0.879 Kb) genes. These were cloned into the pET 22b + plasmid vector and expressed in Escherichia coli BL21(DE3). The recombinant proteases rsep and tpa showed respective yields of 6.3 and 6.7 IU/mg, 11 and 12-fold higher than the crude native protease/s from TBG-PICH-001. These showed soluble expression at 46 and 32 KDa, respectively. These were purified to homogeneity through Ni-NTA-affinity chromatography. The purified proteases were characterized for properties like pH & temperature optima and stability, substrate specificity, kinetic parameters, and detergent attributes. They showed affinity towards various substrates with a respective Km of 392 and 301 µM towards casein. The recombinant proteases exhibited stability in the alkaline pH (7-10), surfactants, metal ions, detergents, and hydrophobic solvents, rendering their suitability as detergent additives.

Screening of Multitarget-Directed Natural Compounds as Drug Candidates for Alzheimer's Disease Using In Silico Techniques: Their Extraction and In Vitro Validation.

Alzheimer's disease (AD) is a neurodegenerative disorder that impairs neurocognitive function. Acetylcholinesterase (AChE) and ß-site APP cleaving enzyme 1 (BACE1) are the two main proteins implicated in AD. Indeed, the major available commercial drugs (donepezil, rivastigmine, and galantamine) against Alzheimer's are AChE inhibitors. However, none of these drugs are known to reverse or reduce the pathophysiological condition of the disease since there are multiple contributing factors to AD. Therefore, there is a need to develop a multitarget-directed ligand approach for its treatment. In the present study, plant bioactive compounds were screened for their AChE and BACE1 inhibition potential by conducting molecular docking studies. Considering their docking score and pharmacokinetic properties, limonin, peimisine, serratanine B, and withanolide A were selected as the lead compounds. Molecular dynamics simulations of these protein-ligand complexes confirmed the conformational and energetically stabilized enzyme-inhibitor complexes. The inhibition potential of the lead compounds was validated by in vitro enzyme assay. Withanolide A inhibited AChE (IC50 value of 107 µM) and showed mixed-type inhibition. At this concentration, it inhibited BACE1 activity by 57.10% and was stated as most effective. Both the compounds, as well as their crude extracts, were found to have no cytotoxic effect on the SH-SY5Y cell line.

Biodegradation of terephthalic acid using Rhodococcus erythropolis MTCC 3951: Insights into the degradation process, applications in wastewater treatment and polyhydroxyalkanoate production.

Terephthalic acid (TPA) is an endocrine disruptor widely used as a plasticizer and as a monomer in the manufacturing of PET bottles. However, because of various harmful effects on humans and the environment, it is now recognized as a priority pollutant whose environmental level needs to be controlled. In the present work, the TPA biodegradation efficacy of the bacterium Rhodococcus erythropolis (MTCC 3951) was studied in mineral salt media with TPA as the sole carbon and energy source. R. erythropolis was observed to degrade 5 mM and 120 mM TPA within 10 h and 84 h of incubation, respectively. The degradation efficiency was further optimized by varying the culture conditions, and the following optimum conditions were obtained: inoculum size- 5% (v/v), temperature- 30 °C, agitation speed- 200 rpm, and pH- 8.0. The bacterium was found to use an ortho-cleavage pathway for TPA degradation determined based on enzymatic and GC-MS studies. Moreover, during the degradation of TPA, the bacterium was observed to produce polyhydroxyalkanoate (PHA)-a biopolymer. Biodegradation of 120 mM TPA resulted in an accumulation of PHA. The PHA granules were visualized using fluorescence and transmission electron microscopy and were later characterized using FTIR spectroscopy. Furthermore, the robustness of the bacterium was demonstrated by its ability to degrade TPA in real industrial wastewater. Overall, R. erythropolis (MTCC 3951) hold the potential for controlling TPA pollution in the environment and vis-à-vis the production of PHA biopolymer.

Pan-genomic comparison of a potential solvent-tolerant alkaline protease-producing Exiguobacterium sp. TBG-PICH-001 isolated from a marine habitat.

The identification and applicability of bacteria are inconclusive until comprehended with genomic repositories. Our isolate, Exiguobacterium sp. TBG-PICH-001 exhibited excellent halo- and organic solvent tolerance with simultaneous production of alkaline protease/s (0.512 IU/mL). The crude protease (1 IU) showed a 43.57% degradation of whey protein. The bulk proteins in the whey were hydrolyzed to smaller peptides which were evident in the SDS-PAGE profile. With such characteristics, the isolate became interesting for its genomic studies. The TBG-PICH-001 genome was found to be 3.14 Mb in size with 17 contigs and 47.33% GC content. The genome showed 3176 coding genes, and 2699 genes were characterized for their functionality. The Next-Generation-Sequencing of the genome identified only the isolate's genus; hence we attempted to delineate its species position. The genomes of the isolate and other representative Exiguobacterium spp. were compared based on orthologous genes (Orthovenn2 server). A pan-genomic analysis revealed the match of TBG-PICH-001 with 15 uncharacterized Exiguobacterium genomes at the species level. All these collectively matched with Exiguobacterium indicum, and the results were reconfirmed through phylogenetic studies. Further, the Exiguobacterium indicum genomes were engaged for homology studies rendering 11 classes of protease genes. Two putative proteases (Zinc metalloprotease and Serine protease) obtained from homology were checked for PCR amplification using genomic DNA of TBG-PICH-001 and other Exiguobacterium genomes. The results showed amplification only in the Exiguobacterium indicum genome. These protease genes, after sequencing, were matched with the TBG-PICH-001 genome. Their presence in its whole genome experimentally validated the study. Supplementary Information: The online version contains supplementary material available at 10.1007/s13205-023-03796-5.

Whole genome sequencing and functional analysis of a novel biofilm-eradicating strain Nocardiopsis lucentensis EMB25.

The process of biofilm formation is intricate and multifaceted, requiring the individual cells to secrete extracellular polymeric substances (EPS) that subsequently aggregate and adhere to various surfaces. The issue of biofilms is a significant concern for public health due to the increased resistance of microorganisms associated with biofilms to antimicrobial agents. The current study describes the whole genome and corresponding functions of a biofilm inhibiting and eradicating actinobacteria isolate identified as Nocardiopsis lucentensis EMB25. The N. lucentensis EMB25 has 6.5 Mbp genome with 71.62% GC content. The genome analysis by BLAST Ring Image Generator (BRIG) revealed it to be closely related to Nocardiopsis dassonvillei NOCA502F. Interestingly, based on orthologous functional groups reflected by average nucleotide identity (ANI) analysis, it was 81.48% similar to N. arvandica DSM4527. Also, it produces lanthipeptides and linear azole(in)e-containing peptides (LAPs) akin to N. arvandica. The secondary metabolite search revealed the presence of major gene clusters involved in terpene, ectoine, siderophores, Lanthipeptides, RiPP-like, and T1PKS biosynthesis. After 24 h of treatment, the cell-free extract effectively eradicates the pre-existing biofilm of P. aeruginosa PseA. Also, the isolated bacteria exhibited antibacterial activity against MRSA, Staphylococcus aureus and Bacillus subtilis bacteria. Overall, this finding offers valuable insights into the identification of BGCs, which contain enzymes that play a role in the biosynthesis of natural products. Specifically, it sheds light on the functional aspects of these BGCs in relation to N. lucentensis.

Monitoring the lipid oxidation and fatty acid profile of oil using algorithm-assisted surface-enhanced Raman spectroscopy.

Deep-fat frying of food develops lipid oxidation products that deteriorate oil and pose a health risk. This necessitates the development of a rapid and accurate oil quality and safety detection technique. Herein, surface-enhanced Raman spectroscopy (SERS) and sophisticated chemometric techniques were used for rapid and label-free determination of peroxide value (PV) and fatty acid composition of oil in-situ. In the study, plasmon-tuned and biocompatible Ag@Au core-shell nanoparticle-based SERS substrates were used to obtain optimum enhancement despite matrix interference to efficiently detect the oil components. The potent combination of SERS and the Artificial Neural Network (ANN) method could determine the fatty acid profile and PV with upto 99% accuracy. Moreover, the SERS-ANN method could quantify the low level of trans fats, i.e., < 2%, with 97% accuracy. Therefore, the developed algorithm-assisted SERS system enabled the sleek and rapid monitoring and on-site detection of oil oxidation.

Inhibition and eradication of Pseudomonas aeruginosa biofilms by secondary metabolites of Nocardiopsis lucentensis EMB25.

Millions of people worldwide have been impacted by biofilm-associated disorders, which are impregnable owing to frequent changes in surface antigens and gene expression. Globally, about 11% of nosocomial infections, including cystic fibrosis, chronic wound infections, and post-surgical infections, are caused by Pseudomonas aeruginosa, the most prevalent Gram-negative bacterial species. Moreover, biofilms are highly resistant to the host's immune system, and exhibit increased tolerance to stress factors such as starvation, dehydration, and antimicrobials. Here, we have isolated a rare halophilic actinobacteria, Nocardiopsis lucentensis EMB25, and utilized the secondary metabolites for inhibition and eradication of P. aeruginosa biofilm. For the first time, N. lucentensis EMB25 bacteria was explored to study the anti-effect of secondary metabolites on pre-established biofilm. The secondary metabolites targeted the quorum sensing pathway and were found to bind to LasR and RhlR, as confirmed via molecular docking. Also, the reduction in virulence factors, rhamnolipids and pyocyanin further supported the study as these two are regulated by LasR and RhlR. In addition, the downregulation of various QS system genes lasA, lasB, rhlA, rhlB, and pqsA confirmed that the secondary metabolites act on two main regulators of the quorum sensing pathway, LasR, and RhlR. The findings of this study support the bioprospecting of previously unknown and extreme-condition actinobacteria as a rich source of novel bioactives against infections caused by bacterial biofilms.

Transglutaminase-Polyethyleneimine Nanoflowers Mediated Cellular Delivery of Anti-miR-210 for Effective Glioblastoma Therapy.

Glioblastoma (GBM) is a deadly tumor of the central nervous system (CNS) having a dismal prognosis. miRNA-based therapeutics hold immense potential for GBM therapy; however, its delivery remains a daunting challenge. MicroRNA-210 has been established as a critical oncomiR in GBM. Our group has developed novel, PEI-functionalized transglutaminase-based nanoflowers (TGNFs, ∼61 nm in diameter) for the efficient delivery of anti-miR-210 to glioblastoma cells in vitro. TGNFs show low cytotoxicity to normal human fibroblasts, do not affect the liver and kidney health of CD1 mice, and offer >95% anti-miR encapsulation efficiency, serum stability, and protection against polyanion moieties. Their synthesis is cost-effective and does not involve the application of harsh chemicals. TGNFs successfully delivered anti-miR-210 to glioblastoma cells, decreasing cellular proliferation and migration and increasing apoptosis. Overall, this research highlights the potential of TGNFs as delivery agents in miRNA inhibition therapy and encourages further preclinical studies to explore the potential of miR-210 as a therapeutic target in GBM and various other cancers where the oncogenic role of miR-210 has been well-established.

Computational Exploration of Bio-Degradation Patterns of Various Plastic Types.

Plastic materials are recalcitrant in the open environment, surviving for longer without complete remediation. The current disposal methods of used plastic material are inefficient; consequently, plastic wastes are infiltrating the natural resources of the biosphere. The mixed composition of urban domestic waste with different plastic types makes them unfavorable for recycling; however, natural assimilation in situ is still an option to explore. In this research work, we have utilized previously published reports on the biodegradation of various plastics types and analyzed the pattern of microbial degradation. Our results demonstrate that the biodegradation of plastic material follows the chemical classification of plastic types based on their main molecular backbone. The clustering analysis of various plastic types based on their biodegradation reports has grouped them into two broad categories of C-C (non-hydrolyzable) and C-X (hydrolyzable). The C-C and C-X groups show a statistically significant difference in their biodegradation pattern at the genus level. The Bacilli class of bacteria is found to be reported more often in the C-C category, which is challenging to degrade compared to C-X. Genus enrichment analysis suggests that Pseudomonas and Bacillus from bacteria and Aspergillus and Penicillium from fungi are potential genera for the bioremediation of mixed plastic waste. The lack of uniformity in reporting the results of microbial degradation of plastic also needs to be addressed to enable productive growth in the field. Overall, the result points towards the feasibility of a microbial-based biodegradation solution for mixed plastic waste.

Integrated fermentative production and downstream processing of L-malic acid by Aspergillus wentii using cassava peel waste.

L-malic acid (L-MA) is an industrially significant chemical with enormous potential. The fungal cell factories could be exploited to harvest it on large scales. In our study, Aspergillus wentii strain (MTCC 1901 T) was explored for L-MA production. Initially, the L-MA production was carried out using glucose with optimization of parameters influencing product accumulation (pH and CaCO3). The fermentation resulted in L-MA titer of 37.9 g/L with 0.39 g/g yield. Then, cassava peel waste (CPW) was used for L-MA production by separate hydrolysis and fermentation. Optimized acidic and enzymatic hydrolysis resulted in glucose release of 0.53 and 0.66 g/g CPW, respectively. The strain accumulated 20.9 g/L and 33.1 g/L L-MA with corresponding yields of 0.25 g/g and 0.34 g/g during batch cultivation using acid and enzyme hydrolysate, respectively. Finally, the produced L-MA was separated using an inexpensive solvent extraction method. Among various solvents used, n-butanol exhibited maximum L-MA extraction efficiency (31%).

Biotransformation of grease waste into fatty acid by Penicillium chrysogenum SNP5 through media engineering and artificial neural network.

Degradation of grease waste remains a challenging task. Current work deals with the biotransformation of grease waste into fatty acids under submerged fermentation using Penicillium chrysogenum SNP5 through media formulation and artificial neural network (ANN). Fermentation media was formulated to ameliorate the uptake of hydrocarbon by enhancing alkane hydroxylase (AlkB) activity, extracellular release of fatty acids and inhibiting beta-oxidation of fatty acid by regulating transketolase. Further, the process parameters of fermentation were optimized through Artificial Neural Network (ANN) using three critical variables viz; inoculum size (spores/ml), pH, and incubation time (days) while media engineering was done with the optimal supplementation of various medium components such as glucose, YPD, MnSO4, tetrahydrobiopterin (THB) and phloretin. The maximum conversion of 66.5% of grease waste into fatty acid was achieved at optimum conditions: inoculums size 3.36 × 107 spores/ml, incubation time 11.5 days, pH 7.2 along with formulated media composed of 1% grease in czapek-dox medium supplemented with 55.5 mM glucose, 0.5% YPD, 16.6 mM hexadecane, 1 mM MnSO4, 1 mM THB, and 1 mM phloretin. The presence of long-chain fatty acids in purified extracts such as oleic acid and octadecanoic acid as end products has valued the evolved process as another source of alternative fuel.

Production of lactones for flavoring and pharmacological purposes from unsaturated lipids: an industrial perspective.

The enantiomeric pure and natural (+)-Lactones (C ≤ 14) with aromas obtained from fruits and milk are considered flavoring compounds. The flavoring value is related to the lactones' ring size and chain length, which blend in varying concentrations to produce different stone-fruit flavors. The nature-identical and enantiomeric pure (+)-lactones are only produced through whole-cell biotransformation of yeast. The industrially important γ-decalactone and δ-decalactone are produced by a four-step aerobic-oxidation of ricinoleic acid (RA) following the lactonization mechanism. Recently, metabolic engineering strategies have opened up new possibilities for increasing productivity. Another strategy for increasing yield is to immobilize the RA and remove lactones from the broth regularly. Besides flavor impact, γ-, δ-, ε-, ω-lactones of the carbon chain (C8-C12), the macro-lactones and their derivatives are vital in pharmaceuticals and healthcare. These analogues are isolated from natural sources or commercially produced via biotransformation and chemical synthesis processes for medicinal use or as active pharmaceutical ingredients. The various approaches to biotransformation have been discussed in this review to generate more prospects from a commercial point of view. Finally, this work will be regarded as a magical brick capable of containing both traditional and genetic engineering technology while contributing to a wide range of commercial applications.

Efficient remediation of meropenem using Bacillus tropicus EMB20 ß-lactamase immobilized on magnetic nanoparticles.

Reducing antibiotic pollution in the environment in essential to preserve the effectiveness of the available antibiotics. In the present study, ß-lactamase from Bacillus tropicus EMB20 was immobilized onto magnetic nanoparticles (Fe3O4) through covalent coupling method. The nanoconjugate was structurally characterized using SEM, FTIR, UV-spectrometry, and XRD diffraction analyses. The prepared enzyme nanoconjugate was thereafter used for remediation of meropenem (Mer) and showed complete removal of 10 mgL-1 Mer within 3 h of treatment. Moreover, the immobilized enzyme was successfully recovered and reused for up to 5 cycles with 57% removal efficiency. The immobilized preparation was also observed to be effective in the removal of higher Mer concentrations of 25 and 50 mgL-1 with 79% and 75% removal efficiency, respectively. The major hydrolyzed product of Mer was found to be opened-lactam ring structure with m/z 402.16. The hydrolyzed product(s) were observed to be non-toxic as revealed through microbial MTT, confocal microscopy, and growth studies. Under the mixed conditions of 50 mgL-1 ampicillin (Amp), 10 mgL-1 amoxicillin (Amox) and, Mer, the nanoconjugate showed simultaneous complete removal of Amp and Mer, while 49% Amox removal was detected after 3 h of treatment. Moreover, the nanoconjugates also showed concomitant complete removal of antibiotic mixture with in 2 h from aquaculture wastewater. Overall, the study comes out with an efficient approach for remediation of ß-lactam antibiotics from contaminated systems.

Microbial carbonic anhydrase mediated carbon capture, sequestration & utilization: A sustainable approach to delivering bio-renewables.

In the recent scenario, anthropogenic interventions have alarmingly disrupted climatic conditions. The persistent change in the climate necessitates carbon neutrality. Efficient ways of carbon capture and sequestration could be employed for sustainable product generation. Carbonic anhydrase (CA) is an enzyme that reversibly catalyzes the conversion of carbon dioxide to bicarbonate ions, further utilized by cells for metabolic processes. Hence, utilizing CA from microbial sources for carbon sequestration and the corresponding delivery of bio-renewables could be the eco-friendly approach. Consequently, the microbial CA and amine-based carbon capture chemicals are synergistically applied to enhance carbon capture efficiency and eventual utilization. This review comprehends recent developments coupled with engineering techniques, especially in microbial CA, to create integrated systems for CO2 sequestration. It envisages developing sustainable approaches towards mitigating environmental CO2 from industries and fossil fuels to generate bio-renewables and other value-added chemicals.

Investigation of Streptomyces sp. Strain EMB24 Secondary Metabolite Profile Has Unraveled Its Extraordinary Antibacterial Potency Against Drug-Resistant Bacteria.

With the overuse and misuse of antibiotics amid COVID-19 pandemic, the antimicrobial resistance, which is already a global challenge, has accelerated its pace significantly. Finding novel and potential antibiotics seems one of the probable solutions. In this work, a novel Streptomyces sp. strain EMB24 was isolated and found to be an excellent source of antimicrobials as confirmed by agar-plug assay. It showed antibacterial activity against infection-causing bacteria, namely Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa. In addition, Streptomyces sp. strain EMB24 inhibited the growth methicillin-resistant Staphylococcus aureus (MRSA), tetracycline-resistant Neisseria gonorrhoeae, and ampicillin-resistant Neisseria gonorrhoeae. Furthermore, to get deep insights about the genome and biosynthetic gene clusters producing antibiotics, whole genome sequencing was done. The strain EMB24 is closely related to the Streptomyces longispororuber as revealed by phylogenetic analysis which is a potential source of antibiotics and pigments as undecylprodigiosin and metacycloprodigiosin belonging to the class prodigiosin. Naphthyridinomycin, alkylresorcinols, desferrioxamine B and E, venezuelin, aborycin, MS-271, and siamycin are potent therapeutics that shared 100% similarity with the reference strain as revealed by the online antiSMASH tool.

Insights from the genome sequence of Bacillus tropicus EMB20, an efficient ß-lactamase-producing bacterium.

We report here the whole-genome sequence of ß-lactamase-producing bacteria Bacillus tropicus EMB20. The genome sequence of Bacillus tropicus EMB20 has a size of 5.8 Mb (G + C content of 35.52%) with 5593 coding DNA sequences (CDSs), 108 tRNA, and 14 rRNA operons. The bacterium has the unique ability to produce a ß-lactamase enzyme with high activity. ß-Lactamases are one of the most common causes of antimicrobial resistance as these enzymes inactivate almost all ß-lactam antibiotics. The antibiotic susceptibility test showed that the B. tropicus EMB20 is producing ß-lactamase and can degrade the ß-lactam antibiotics. Further, the antibiotic degradation potential of this bacteria was confirmed by growing the bacteria in the presence of varying concentrations of ß-lactam antibiotic, amoxicillin. The bacteria were able to hydrolyze amoxicillin up to 50 mg/L in 4 h. Furthermore, the analyses of the genome revealed the presence of multiple ß-lactamase genes, possibly involved in antibiotic degradation. The availability of the genome sequence will provide further insights into the mechanism of antimicrobial resistance by ß-lactamase-producing bacteria. Supplementary Information: The online version contains supplementary material available at 10.1007/s13205-022-03395-w.

Genome Sequence Analysis of Exiguobacterium sp. Strain TBG-PICH-001, Isolated from Pichavaram Mangrove Forest in South India.

The draft genome sequence of Exiguobacterium sp. strain TBG-PICH-001, isolated from Pichavaram Mangrove Forest (Tamil Nadu, India), is reported here. Paired-end sequencing technology was used to sequence the genome on the Illumina HiSeq X Ten platform. The genome comprises 3,141,454 bp; it harbors 3,154 genes and has a G+C content of 47.34%.

Molecular and structural insights of ß-boswellic acid and glycyrrhizic acid as potent SARS-CoV-2 Envelope protein inhibitors.

Background: Over million people have been infected with SARS-CoV-2 virus worldwide, with around 3% reported deaths till date. A few conventional antiviral treatments have been tried to mitigate the coronavirus. However, many alternative therapeutics are being evaluated worldwide. In the present study, we investigated traditional Indian medicinal compounds antiviral potencies as an effective drug for targeting SARS-CoV-2E. SARS-CoV-2 E protein plays a key role in coronavirus life cycle and is an interesting target for the development of anti-SARS-CoV-2 E drugs. Methods: Molecular docking studies of medicinal compounds possessing wide range of pharmacological and antiviral activities against enveloped viruses were evaluated with the computer-aided drug design screening software; PyRx. Twelve medicinal compounds isolated from plants were screened and visualized on Biovia Discovery-Studio. Moreover, SARS-CoV-2 E protein's secondary structural insights were deciphered using Swiss Model and ProFunc web server. Results: Glycyrrhizic acid, triterpene glycoside isolated from plants of Glycyrrhiza (licorice) showed interactions with envelope protein at chain A: Arg 61, chain B: Phe 23, chain B: Tyr 57, and chain C: Val 25. ß- boswellic acid, an ayurvedic herb (pentacyclic terpenoid are produced by Boswellia) represented direct interactions and indirect binding with chain C. Their pharmacological aspects and drug-likeness properties were deduced by DruLiTo. Toxicological assessment, along with their ADME profiling, was validated using vNNADMET. The findings showed that ligands, ß-boswellic acid, and glycyrrhizic acid possessed the best bindings, with the target having binding affinity (-9.1 kcal/mol) amongst compounds tested against SARS-CoV-2 E. In-vitro studies reveals the promising effect as potent SARS-CoV-2 E inhibitors. Functionality loss and structural disruptions with ∼90% were observed by UV-spectra and fluorescent based analyses. Conclusion: The study demonstrated that ß-boswellic acid, and glycyrrhizic acid are strong SARS-CoV-2 E protein inhibitors. In addition, the work linked GA antiviral activity to its effect on SARS-CoV- 2 E protein that can pave the way for designing antiviral therapeutics.

Effect of Psidium guajava leaves extracts on thermo-lipid oxidation and Maillard pathway born food toxicant acrylamide in Indian staple food.

Deep frying of food is a common practice that leads to the formation of lipid oxidation products. These lipid oxidation products have a role in the Maillard reaction, which ultimately leads to the formation of cancer-causing and neurotoxic substance acrylamide. In this regard, the Psidium guajava leaves extract-treated sunflower oil on oxidative stability and acrylamide content in pooris a popular deep-fried staple food in India were studied and compared with synthetic antioxidant butylated hydroxytoluene (BHT) till four frying cycles. P. guajava leaves contain 173.33 ± 1.95 mg GAE/g extract total phenolic content and 20.43 ± 0.25 mg RUE/g extract total flavonoid content. Some of the phytochemicals in the extract were identified and quantified by HPTLC. P. guajava leaves extract (1 g) contained 0.039 mg gallic acid, 0.196 mg rutin, 0.021 mg naringenin, 0.059 mg ferulic acid. The IC50 values for guava leaves extract, BHT, and ascorbic acid were 61.4, 30.4, 26.6 µg/mL, respectively. The peroxide and p-anisidine values indicated that P. guajava leaves extract inhibited lipid oxidation and provided oxidative stability. Pooris fried in P. guajava leaves extract-treated, BHT treated sunflower oil contained a lower acrylamide than pooris fried in control sunflower oil. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at (10.1007/s13197-021-04984-y).