• Je něco špatně v tomto záznamu ?

Assessment of phytochemicals, antioxidants and in-silico molecular dynamic simulation of plant derived potential inhibitory activity of Thalictrum foliolosum DC. and Cordia dichotoma G. Forst. against jaundice

D. Raghuvanshi, S. Kumar, MK. Shukla, D. Kumar, D. Kumar, R. Verma, E. Nepovimova, M. Valko, SY. Alomar, SH. Alwasel, K. Kuca

. 2022 ; 156 (-) : 113898. [pub] 20221021

Jazyk angličtina Země Francie

Typ dokumentu časopisecké články

Perzistentní odkaz   https://www.medvik.cz/link/bmc22032356

Medicinal plants have been exploited for therapeutic purposes since the dawn of civilization and have long been acknowledged essential to human health. The purpose of this research is to examine the scientific evidence for using the therapeutic herbal plants Thalictrum foliolosum DC. and Cordia dichotoma G. Forst. to treat hepatitis illness. The fundamental explanation for the therapeutic relevance of these plants is phytochemicals, which were evaluated qualitatively and quantitatively in three separate extracts with different solvent properties (methanol-polar, chloroform-non-polar, and aqueous-polar as one of the bases of traditional use). Flavonoids, phenols, tannins, saponins, and alkaloids were all evaluated for their presence in plant extracts, and it was observed that methanolic extract had the highest content of phytochemicals among different extracts whereas, the aqueous extract showed least amount of phytochemicals. Additionally, the antioxidant activity of these plants was also evaluated and methanolic extract was revealed with potential antioxidant activity, as also evidenced by the lowest half inhibitory concentration (IC50) values in the DPPH, ABTS, and high %inhibition in μM Fe equivalent of FRAP assays. Following that, the dominant phytochemicals were investigated using ultra-high performance liquid chromatography from the selected plants. Furthermore, default docking algorithms were used to appraise the dominant phytoconstituents for their in-silico investigation, in which rutin was found with the highest binding affinity (8.2 kcal/mol) and interaction with receptor which is further involved in causing jaundice. The receptor is infact an enzyme that is sphingomyelin phosphodiesterase Leptospira interrogans (PDB: 5EBB) which is holded back in its position by rutin and do not interact with Leptospira inferrogans spp which causes jaundice. Overall, the study suggested that these herbs have significant therapeutic properties, and their in-silico analysis strongly recommends further clinical investigations to get insight into the mechanisms of action in curing variety of diseases.

Citace poskytuje Crossref.org

000      
00000naa a2200000 a 4500
001      
bmc22032356
003      
CZ-PrNML
005      
20230131151652.0
007      
ta
008      
230120s2022 fr f 000 0|eng||
009      
AR
024    7_
$a 10.1016/j.biopha.2022.113898 $2 doi
035    __
$a (PubMed)36274463
040    __
$a ABA008 $b cze $d ABA008 $e AACR2
041    0_
$a eng
044    __
$a fr
100    1_
$a Raghuvanshi, Disha $u School of Biological and Environmental Sciences, Shoolini University of Biotechnology and Management Sciences, Solan 173229, Himachal Pradesh, India
245    10
$a Assessment of phytochemicals, antioxidants and in-silico molecular dynamic simulation of plant derived potential inhibitory activity of Thalictrum foliolosum DC. and Cordia dichotoma G. Forst. against jaundice / $c D. Raghuvanshi, S. Kumar, MK. Shukla, D. Kumar, D. Kumar, R. Verma, E. Nepovimova, M. Valko, SY. Alomar, SH. Alwasel, K. Kuca
520    9_
$a Medicinal plants have been exploited for therapeutic purposes since the dawn of civilization and have long been acknowledged essential to human health. The purpose of this research is to examine the scientific evidence for using the therapeutic herbal plants Thalictrum foliolosum DC. and Cordia dichotoma G. Forst. to treat hepatitis illness. The fundamental explanation for the therapeutic relevance of these plants is phytochemicals, which were evaluated qualitatively and quantitatively in three separate extracts with different solvent properties (methanol-polar, chloroform-non-polar, and aqueous-polar as one of the bases of traditional use). Flavonoids, phenols, tannins, saponins, and alkaloids were all evaluated for their presence in plant extracts, and it was observed that methanolic extract had the highest content of phytochemicals among different extracts whereas, the aqueous extract showed least amount of phytochemicals. Additionally, the antioxidant activity of these plants was also evaluated and methanolic extract was revealed with potential antioxidant activity, as also evidenced by the lowest half inhibitory concentration (IC50) values in the DPPH, ABTS, and high %inhibition in μM Fe equivalent of FRAP assays. Following that, the dominant phytochemicals were investigated using ultra-high performance liquid chromatography from the selected plants. Furthermore, default docking algorithms were used to appraise the dominant phytoconstituents for their in-silico investigation, in which rutin was found with the highest binding affinity (8.2 kcal/mol) and interaction with receptor which is further involved in causing jaundice. The receptor is infact an enzyme that is sphingomyelin phosphodiesterase Leptospira interrogans (PDB: 5EBB) which is holded back in its position by rutin and do not interact with Leptospira inferrogans spp which causes jaundice. Overall, the study suggested that these herbs have significant therapeutic properties, and their in-silico analysis strongly recommends further clinical investigations to get insight into the mechanisms of action in curing variety of diseases.
650    _2
$a lidé $7 D006801
650    _2
$a antioxidancia $x farmakologie $x analýza $7 D000975
650    12
$a Cordia $7 D031213
650    12
$a Thalictrum $7 D031949
650    _2
$a simulace molekulární dynamiky $7 D056004
650    _2
$a fytonutrienty $x analýza $7 D064209
650    _2
$a rostlinné extrakty $x chemie $7 D010936
650    _2
$a flavonoidy $x farmakologie $x analýza $7 D005419
650    _2
$a methanol $7 D000432
650    12
$a žloutenka $7 D007565
650    _2
$a rutin $7 D012431
655    _2
$a časopisecké články $7 D016428
700    1_
$a Kumar, Sunil $u Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Shoolini University, Solan 173229, Himachal Pradesh, India
700    1_
$a Shukla, Monu Kumar $u Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Shoolini University, Solan 173229, Himachal Pradesh, India
700    1_
$a Kumar, Deepak $u Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Shoolini University, Solan 173229, Himachal Pradesh, India
700    1_
$a Kumar, Dinesh $u School of Bioengineering and Food Technology, Shoolini University of Biotechnology and Management Sciences, Solan 173229, Himachal Pradesh, India
700    1_
$a Verma, Rachna $u School of Biological and Environmental Sciences, Shoolini University of Biotechnology and Management Sciences, Solan 173229, Himachal Pradesh, India. Electronic address: rachnac83@gmail.com
700    1_
$a Nepovimova, Eugenie $u Department of Chemistry, Faculty of Science, University of Hradec Kralove, 50003 Hradec Kralove, Czech Republic
700    1_
$a Valko, Marian $u Faculty of Chemical and Food Technology, Slovak University of Technology, 81237 Bratislava, Slovakia; Zoology Department, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
700    1_
$a Alomar, Suliman Y $u Zoology Department, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
700    1_
$a Alwasel, Saleh H $u Zoology Department, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
700    1_
$a Kuca, Kamil $u Department of Chemistry, Faculty of Science, University of Hradec Kralove, 50003 Hradec Kralove, Czech Republic; Faculty of Chemical and Food Technology, Slovak University of Technology, 81237 Bratislava, Slovakia; Andalusian Research Institute in Data Science and Computational Intelligence (DaSCI), University of Granada, 18071 Granada, Spain. Electronic address: kamil.kuca@uhk.cz
773    0_
$w MED00005486 $t Biomedicine & pharmacotherapy Biomedecine & pharmacotherapie $x 1950-6007 $g Roč. 156, č. - (2022), s. 113898
856    41
$u https://pubmed.ncbi.nlm.nih.gov/36274463 $y Pubmed
910    __
$a ABA008 $b sig $c sign $y p $z 0
990    __
$a 20230120 $b ABA008
991    __
$a 20230131151648 $b ABA008
999    __
$a ok $b bmc $g 1891236 $s 1183691
BAS    __
$a 3
BAS    __
$a PreBMC-MEDLINE
BMC    __
$a 2022 $b 156 $c - $d 113898 $e 20221021 $i 1950-6007 $m Biomedicine & pharmacotherapy $n Biomed Pharmacother $x MED00005486
LZP    __
$a Pubmed-20230120

Najít záznam

Citační ukazatele

Možnosti archivace