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Article ; Online: Elucidating hepatoprotective potential of Cichorium intybus through multimodal assessment and molecular docking analysis with hepatic protective enzymes.

Pathak, Abhishek / Singh, Satya Pal / Tiwari, Apoorv

Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association

2024 Volume 187, Page(s) 114595

Abstract: This study employed a comprehensive approach to validate the hepatoprotective potential of phytoconstituents from Cichorium intybus leaves. In vitro, in vivo and in silico techniques were used to confirm the protective effects on liver enzymes. In vitro ... ...

Abstract	This study employed a comprehensive approach to validate the hepatoprotective potential of phytoconstituents from Cichorium intybus leaves. In vitro, in vivo and in silico techniques were used to confirm the protective effects on liver enzymes. In vitro antioxidant assessment revealed the highest potential in the hydroethanolic leaf extract compared to aqueous and methanolic extracts. The study further investigated the ameliorative efficacy of the hydro-ethanolic extract (HECL) in male Wistar rats exposed to lead (50 mg/kg b wt.) and nickel (4.0 mg/kg b wt.) individually and in combination for 90 days. HECL at 250 mg/kg b wt. mitigated hepatic injury, oxidative stress, DNA fragmentation, ultrastructural and histopathological alterations induced by lead and nickel. Molecular docking explored the interaction of 28 phytoconstituents from C. intybus with hepatoprotective protein targets. Cyanidin and rutin exhibited the highest affinity for liver corrective enzymes among the screened phytoconstituents. These findings underscore the liver corrective potential of C. intybus leaf phytoconstituents, shedding light on their molecular interactions with hepatoprotective targets. This research contributes valuable insights into the therapeutic applications of C. intybus in liver protection.
MeSH term(s)	Male ; Rats ; Animals ; Molecular Docking Simulation ; Cichorium intybus ; Plant Extracts/chemistry ; Nickel ; Rats, Wistar ; Antioxidants/chemistry ; Liver
Chemical Substances	Plant Extracts ; Nickel (7OV03QG267) ; Antioxidants
Language	English
Publishing date	2024-03-28
Publishing country	England
Document type	Journal Article
ZDB-ID	782617-5
ISSN	1873-6351 ; 0278-6915
ISSN (online)	1873-6351
ISSN	0278-6915
DOI	10.1016/j.fct.2024.114595
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Article ; Online: Computational exploration of microsomal cytochrome P450 3A1 enzyme modulation by phytochemicals of Cichorium intybus L.: Insights into drug metabolism.

Pathak, Abhishek / Singh, Satya Pal / Singh, Dev Bukhsh / Anjaria, Pranav / Tiwari, Apoorv

Biopharmaceutics & drug disposition

2024 Volume 45, Issue 1, Page(s) 15–29

Abstract: Drug metabolism plays a crucial role in drug fate, including therapeutic inactivation or activation, as well as the formation of toxic compounds. This underscores the importance of understanding drug metabolism in drug discovery and development. ... ...

Abstract	Drug metabolism plays a crucial role in drug fate, including therapeutic inactivation or activation, as well as the formation of toxic compounds. This underscores the importance of understanding drug metabolism in drug discovery and development. Considering the substantial costs associated with traditional drug development methods, computational approaches have emerged as valuable tools for predicting the metabolic fate of drug candidates. With this in mind, the present study aimed to investigate the potential mechanisms underlying the modulation of microsomal cytochrome P450 3A1 (CYP3A1) enzyme activity by various phytochemicals found in Cichorium intybus L., commonly known as chicory. To achieve this goal, several in silico methods, including molecular docking and molecular dynamics (MD) simulation, were employed to explore computationally the microsomal CYP3A1 enzyme. Schrodinger software was utilized for the molecular docking study, which involved the interaction analysis between CYP3A1 and 28 phytoconstituents of Cichorium intybus. Virtual screening of 28 compounds from chicory led to the identification of the top five ranked compounds. These compounds were evaluated for drug-likeness properties, pharmacokinetic profiles, and predicted binding affinities to CYP3A1. Caffeoylshikimic acid and cichoric acid emerged as promising candidates due to their favorable characteristics, including good oral bioavailability and high binding affinities to CYP3A1. Molecular dynamics simulations were conducted to assess the stability of caffeoylshikimic acid within the CYP3A1 binding pocket. The results demonstrated that caffeoylshikimic acid maintained stable interactions with the enzyme throughout the simulation, suggesting its potential as an effective modulator of CYP3A1 activity. The findings of this study have the potential to provide valuable insights into the complex molecular mechanisms by which Cichorium intybus L. acts on hepatocytes and modulates CYP3A1 enzyme expression or activity. By elucidating the impact of these phytochemicals on drug metabolism, this research contributes to our understanding of how chicory may interact with drugs and influence their efficacy and safety profiles.
MeSH term(s)	Cichorium intybus ; Molecular Docking Simulation ; Cytochrome P-450 Enzyme System/metabolism ; Microsomes/metabolism ; Phytochemicals
Chemical Substances	Cytochrome P-450 Enzyme System (9035-51-2) ; Phytochemicals
Language	English
Publishing date	2024-01-20
Publishing country	England
Document type	Journal Article
ZDB-ID	603014-2
ISSN	1099-081X ; 0142-2782
ISSN (online)	1099-081X
ISSN	0142-2782
DOI	10.1002/bdd.2380
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Article: Genome-wide identification, characterization and relative expression analysis of putative iron homeostasis genes: NAS, NAAT, and DMAS in hexaploid wheat and its progenitors

Kumar, Naveen / Tiwari, Apoorv / Pal, Neeraj / Kumar, Sundip

Journal of cereal science. 2022 May, v. 105

2022

Abstract: The present study used different in silico approaches to identify and characterize the putative iron homeostasis genes in hexaploid wheat (Chinese Spring) and its diploid wild progenitors (Triticum urartu, Aegilops speltoides, and Aegilops tauschii). A ... ...

Abstract	The present study used different in silico approaches to identify and characterize the putative iron homeostasis genes in hexaploid wheat (Chinese Spring) and its diploid wild progenitors (Triticum urartu, Aegilops speltoides, and Aegilops tauschii). A total of six NAAT genes, three NAAT1 and other three NAAT2 types on long arms of group 1 chromosomes, three DMAS genes on group 4 chromosomes and twenty NAS genes on group 2, 3, 4, 5 and 6 chromosomes were identified and characterized in hexaploid wheat whereas, two NAAT genes from T.urartu (TuNAAT1 and TuNAAT2) and one each from Ae. speltoides (Ae.spelNAAT2) and Ae.tauschii (Ae.tausNAAT1), a single DMAS gene each from T. urartu, Ae. speltoides and Ae.tauschii and five NAS genes each from the diploid wild progenitors was reported on similar group of chromosomes. Structure analysis among the hexaploid wheat and wild progenitors revealed differences in lengths of NAAT and DMAS genes. This variation in the length of homologous genes was found to be associated with variation in the length of intron sequences which may influence the expression pattern of these genes. Further, gene expression analyses (quantitative RT-PCR) of four of the iron homeostasis genes, namely, TaNAAT, TaDMAS, TaIDEF2, and TaNAS9-2AS was performed in hexaploid wheat. Expression of three genes, TaNAAT, TaDMAS, and TaNAS9-2AS in wheat roots was found to be directly regulated by the iron deficiency and age of the plants, whereas TaIDEF2 was appeared to be post-transcriptionally regulated. The identification and characterization of these genes, provides a useful genetic resource for better understanding of iron homeostasis genes in hexaploid wheat. This information could be used in subsequent wheat biofortification programmes using molecular breeding approaches.
Keywords	Aegilops speltoides ; Aegilops tauschii ; Triticum urartu ; biofortification ; computer simulation ; diploidy ; gene expression ; hexaploidy ; homeostasis ; introns ; wheat
Language	English
Dates of publication	2022-05
Publishing place	Elsevier Ltd
Document type	Article
ZDB-ID	408468-8
ISSN	0733-5210
ISSN	0733-5210
DOI	10.1016/j.jcs.2022.103446
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Effect of anthocyanins on gut health markers, Firmicutes-Bacteroidetes ratio and short-chain fatty acids: a systematic review via meta-analysis.

Kapoor, Payal / Tiwari, Apoorv / Sharma, Saloni / Tiwari, Vandita / Sheoran, Bhawna / Ali, Usman / Garg, Monika

Scientific reports

2023 Volume 13, Issue 1, Page(s) 1729

Abstract: Researchers discovered that diets rich in anthocyanin-rich fruits and vegetables significantly impacted gut flora. To conclude, large-scale randomized controlled clinical trials are challenging to conduct; therefore, merging data from multiple small ... ...

Abstract	Researchers discovered that diets rich in anthocyanin-rich fruits and vegetables significantly impacted gut flora. To conclude, large-scale randomized controlled clinical trials are challenging to conduct; therefore, merging data from multiple small studies may aid. A systematic review collects and analyses all research on a particular subject and design. This comprehensive review and meta-analysis examined the influence of dietary anthocyanins on Firmicutes/Bacteroide (Fir/Bac) and short-chain fatty acids (SCFAs) content. The current meta-analysis followed the guidelines of PRISMA-the preferred reporting items for systematic reviews and meta-analyses. Diets high in anthocyanins substantially reduced the Fir/Bac ratio in the assessed trials. Among three SCFAs, the highest impact was observed on acetic acid, followed by propionic acid, and then butanoic acid. The meta-analysis results also obtained sufficient heterogeneity, as indicated by I
MeSH term(s)	Anthocyanins ; Fatty Acids, Volatile ; Acetic Acid ; Bacteroidetes/genetics ; Firmicutes/genetics
Chemical Substances	Anthocyanins ; Fatty Acids, Volatile ; Acetic Acid (Q40Q9N063P)
Language	English
Publishing date	2023-01-31
Publishing country	England
Document type	Systematic Review ; Meta-Analysis ; Journal Article
ZDB-ID	2615211-3
ISSN	2045-2322 ; 2045-2322
ISSN (online)	2045-2322
ISSN	2045-2322
DOI	10.1038/s41598-023-28764-0
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Article: Uncovering the genomic regions underlying grain iron and zinc content using genome-wide association mapping in finger millet.

Chandra, Ajay Kumar / Pandey, Dinesh / Sood, Salej / Joshi, Dinesh Chandra / Tiwari, Apoorv / Sharma, Divya / Gururani, Kavita / Kumar, Anil

3 Biotech

2024 Volume 14, Issue 2, Page(s) 47

Abstract: Finger millet, being rich source of essential minerals like iron and zinc, is an ideal model to identify candidate genes contributing to high grain iron content (GIC) and zinc content (GZC) in plants. Hence, finger millet diversity panel comprised of 202 ...

Abstract	Finger millet, being rich source of essential minerals like iron and zinc, is an ideal model to identify candidate genes contributing to high grain iron content (GIC) and zinc content (GZC) in plants. Hence, finger millet diversity panel comprised of 202 genotypes was evaluated in two geographical locations and found to have a wide variation for GIC and GZC. A genome-wide association study using 2977 single nucleotide polymorphism (SNP) markers identified reliable marker-trait associations (MTAs). The use of general linear model (GLM) and mixed linear model (MLM) approaches revealed 5 and 8 common MTAs linked to GIC and GZC, respectively, for both Almora and Pantnagar locations, with a high level of significance ( Supplementary information: The online version contains supplementary material available at 10.1007/s13205-023-03889-1.
Language	English
Publishing date	2024-01-22
Publishing country	Germany
Document type	Journal Article
ZDB-ID	2600522-0
ISSN	2190-5738 ; 2190-572X
ISSN (online)	2190-5738
ISSN	2190-572X
DOI	10.1007/s13205-023-03889-1
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Article ; Online: Genome–Transcriptome Transition Approaches to Characterize Anthocyanin Biosynthesis Pathway Genes in Blue, Black and Purple Wheat

Kapoor, Payal / Sharma, Saloni / Tiwari, Apoorv / Kaur, Satveer / Anita Kumari / Sonah, Humira / Goyal, Ajay / Krishania, Meena / Garg, Monika

Genes (Basel). 2023 Mar. 27, v. 14, no. 4

2023

Abstract: Colored wheat has gained enormous attention from the scientific community, but the information available on the anthocyanin biosynthetic genes is very minimal. The study involved their genome-wide identification, in silico characterization and ... ...

Abstract	Colored wheat has gained enormous attention from the scientific community, but the information available on the anthocyanin biosynthetic genes is very minimal. The study involved their genome-wide identification, in silico characterization and differential expression analysis among purple, blue, black and white wheat lines. The recently released wheat genome mining putatively identified eight structural genes in the anthocyanin biosynthesis pathway with a total of 1194 isoforms. Genes showed distinct exon architecture, domain profile, regulatory elements, chromosome emplacement, tissue localization, phylogeny and synteny, indicative of their unique function. RNA sequencing of developing seeds from colored (black, blue and purple) and white wheats identified differential expressions in 97 isoforms. The F3H on group two chromosomes and F3′5′H on 1D chromosomes could be significant influencers in purple and blue color development, respectively. Apart from a role in anthocyanin biosynthesis, these putative structural genes also played an important role in light, drought, low temperature and other defense responses. The information can assist in targeted anthocyanin production in the wheat seed endosperm.
Keywords	RNA ; anthocyanins ; biosynthesis ; chromosomes ; color ; computer simulation ; drought ; endosperm ; exons ; gene expression regulation ; phylogeny ; temperature ; wheat
Language	English
Dates of publication	2023-0327
Publishing place	Multidisciplinary Digital Publishing Institute
Document type	Article ; Online
ZDB-ID	2527218-4
ISSN	2073-4425
ISSN	2073-4425
DOI	10.3390/genes14040809
Database	NAL-Catalogue (AGRICOLA)

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Article: Identification and validation of candidate genes for high calcium content in finger millet [Eleusine coracana (L.) Gaertn.] through genome-wide association study

Sharma, Divya / Tiwari, Apoorv / Sood, Salej / Meher, P.K. / Kumar, Anil

Journal of cereal science. 2022 Sept., v. 107

2022

Abstract: Calcium is one of the most important mineral elements required in adequate amounts in the diet for sound health. Improved intake of calcium in the diet is the most cost-effective way to overcome its deficiency. Finger millet [Eleusine coracana (L.) ... ...

Abstract	Calcium is one of the most important mineral elements required in adequate amounts in the diet for sound health. Improved intake of calcium in the diet is the most cost-effective way to overcome its deficiency. Finger millet [Eleusine coracana (L.) Gaertn.] is an excellent model system for investigating the genetic control of calcium accumulation in crops because of the very high calcium content in its grains. Therefore, a set of 202 diverse global finger millet accessions were evaluated for grain calcium content in two diverse environments in India. Phenotypic measurements for grain calcium content showed wide variation among the accessions, which ranged from 53 to 454 mg per 100g grains. High throughput genotyping by sequencing (GBS) identified 2977 genome-wide high-quality SNPs for marker-trait association (MTA) analysis with respect to grain calcium content, days to maturity, and grain yield. We found 44 common SNP-trait associations using general and mixed linear models contributing 4.80–17.79% phenotypic variance for calcium trait, 5 and 1 common SNPs associated with grain yield and days to maturity expressing 5.52–13.12%, and 5.83–6.75% phenotypic variance, respectively. Among 44 MTA's for calcium content, two putative SNP marker sequences were found homologous to candidate genes viz., calmodulin-binding protein (CBP) and CBL-Interacting Protein Kinase7 (CIPK7) of Setaria italic (Foxtail millet), which might be playing a pivotal role in grain calcium accumulation. Differential expression analysis by qPCR showed that the two genes (EcCBP and EcCIPK7) were highly expressed in high calcium genotypes (HCG) as compared to medium and low calcium genotypes (LCG). These two genes might be involved in regulating the activities of CaX exchanger and calmodulin (CAM) proteins resulting in high grain calcium accumulation.
Keywords	Eleusine coracana ; Setaria ; Setaria italica ; calcium ; calmodulin ; cost effectiveness ; diet ; gene expression regulation ; genome-wide association study ; grain yield ; phenotype ; phenotypic variation ; India
Language	English
Dates of publication	2022-09
Publishing place	Elsevier Ltd
Document type	Article
ZDB-ID	408468-8
ISSN	0733-5210
ISSN	0733-5210
DOI	10.1016/j.jcs.2022.103517
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Genome-Transcriptome Transition Approaches to Characterize Anthocyanin Biosynthesis Pathway Genes in Blue, Black and Purple Wheat.

Kapoor, Payal / Sharma, Saloni / Tiwari, Apoorv / Kaur, Satveer / Kumari, Anita / Sonah, Humira / Goyal, Ajay / Krishania, Meena / Garg, Monika

Genes

2023 Volume 14, Issue 4

Abstract	Colored wheat has gained enormous attention from the scientific community, but the information available on the anthocyanin biosynthetic genes is very minimal. The study involved their genome-wide identification, in silico characterization and differential expression analysis among purple, blue, black and white wheat lines. The recently released wheat genome mining putatively identified eight structural genes in the anthocyanin biosynthesis pathway with a total of 1194 isoforms. Genes showed distinct exon architecture, domain profile, regulatory elements, chromosome emplacement, tissue localization, phylogeny and synteny, indicative of their unique function. RNA sequencing of developing seeds from colored (black, blue and purple) and white wheats identified differential expressions in 97 isoforms. The
MeSH term(s)	Transcriptome ; Anthocyanins ; Triticum/genetics ; Triticum/metabolism ; Endosperm/metabolism ; Seeds/metabolism
Chemical Substances	Anthocyanins
Language	English
Publishing date	2023-03-27
Publishing country	Switzerland
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2527218-4
ISSN	2073-4425 ; 2073-4425
ISSN (online)	2073-4425
ISSN	2073-4425
DOI	10.3390/genes14040809
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Article ; Online: Effect of dietary anthocyanins on biomarkers of type 2 diabetes and related obesity: A systematic review and meta-analysis.

Tiwari, Vandita / Sharma, Saloni / Tiwari, Apoorv / Sheoran, Bhawna / Kaur, Satveer / Sharma, Anjali / Yadav, Mona / Bhatnagar, Archana / Garg, Monika

Critical reviews in food science and nutrition

2023 , Page(s) 1–18

Abstract: Anthocyanins have been reported for the protective effects against type 2 diabetes and related obesity. This meta-analysis examined the benefits of anthocyanins on type 2 diabetes and obesity biomarkers in animals and humans. The study included 21 ... ...

Abstract	Anthocyanins have been reported for the protective effects against type 2 diabetes and related obesity. This meta-analysis examined the benefits of anthocyanins on type 2 diabetes and obesity biomarkers in animals and humans. The study included 21 clinical trials and 27 pre-clinical studies. A systematic search was conducted using the following inclusion criteria: in vivo rodent studies; human randomized clinical trials, both aimed at assessing the fasting blood glucose (FBG), HbA1c, total cholesterol, triglycerides, high-density lipoprotein and low-density lipoprotein; and study duration of at least two weeks. Out of the 201 examined publications, 48 were shortlisted after implementation of the selection criteria. Results of clinical trials demonstrated that consumption of anthocyanin-rich food significantly reduced the FBG (
Language	English
Publishing date	2023-03-12
Publishing country	United States
Document type	Systematic Review
ZDB-ID	1037504-1
ISSN	1549-7852 ; 1040-8398
ISSN (online)	1549-7852
ISSN	1040-8398
DOI	10.1080/10408398.2023.2186121
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Article ; Online: A comparative study of colored wheat lines across laboratories for validation of their phytochemicals and antioxidant activity

Sharma, Anjali / Yadav, Mona / Tiwari, Apoorv / ʻAlī, ʻUs̲mān / Krishania, Meena / Manju Bala / Mridula, D. / Sharma, Paras / Goudar, Giridhar / Roy, Joy K. / Navik, Umashanker / Garg, Monika

Journal of Cereal Science. 2023 July, v. 112 p.103719-

2023

Abstract: With aim of assessing inter-laboratory variations, phytochemical and antioxidant analysis of seventeen wheat lines were carried out in three well-equipped Indian laboratories viz- National Agri-Food Biotechnology Institute (NABI), Punjab, Central ... ...

Abstract	With aim of assessing inter-laboratory variations, phytochemical and antioxidant analysis of seventeen wheat lines were carried out in three well-equipped Indian laboratories viz- National Agri-Food Biotechnology Institute (NABI), Punjab, Central Institute of Post-Harvest Engineering & Technology (CIPHET), Punjab, and National Institute of Nutrition (NIN), Telangana. Protocols were rigorously discussed among laboratories, re-formulated, and uniformly executed for estimating anthocyanins, phenolics, flavonoid content and antioxidant activity measured by colorimetric assays (DPPH, ABTS, FRAP & MC). Compiled data complement each other, with minor inter-laboratory variations. Colored wheat lines show higher antioxidant activity and phytochemical profile than white wheat lines across the laboratories. Within colored wheat lines, black wheat lines have the best nutraceutical profile across the laboratories, with an observed order of black > blue > purple > white. Within black wheat varieties, one of the studied lines, Bk2, consistently outperformed across the laboratories and had highest antioxidant activity, mean anthocyanin content (150.19 mg/kg), phenolic content (277.67 mg/kg), flavonoid content (17.76 mg/kg). The factors that may contribute to the evaluation process include differences in the human resources involved, type and company of solvent, instrument model, and weather and humidity conditions during the measurement. This study validates the higher phytochemicals and antioxidant property of colored wheat through a multi-laboratory analysis.
Keywords	anthocyanins ; antioxidant activity ; antioxidants ; biotechnology ; chemical constituents of plants ; colorimetry ; comparative study ; dietary supplements ; humans ; humidity ; models ; phenolic compounds ; solvents ; wheat ; Colored wheat ; Phenolics ; Flavonoids ; Inter-laboratory study
Language	English
Dates of publication	2023-07
Publishing place	Elsevier Ltd
Document type	Article ; Online
ZDB-ID	408468-8
ISSN	0733-5210
ISSN	0733-5210
DOI	10.1016/j.jcs.2023.103719
Database	NAL-Catalogue (AGRICOLA)

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