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Article ; Online: The Abundant Phytocannabinoids in Rheumatoid Arthritis

Arijit Nandi / Anwesha Das / Yadu Nandan Dey / Kuldeep K. Roy

Life, Vol 13, Iss 700, p

Therapeutic Targets and Molecular Processes Identified Using Integrated Bioinformatics and Network Pharmacology

2023 Volume 700

Abstract: The endocannabinoid system consists of several phytocannabinoids, cannabinoid receptors, and enzymes that aid in numerous steps necessary to manifest any pharmacological activity. It is well known that the endocannabinoid system inhibits the pathogenesis ...

Abstract	The endocannabinoid system consists of several phytocannabinoids, cannabinoid receptors, and enzymes that aid in numerous steps necessary to manifest any pharmacological activity. It is well known that the endocannabinoid system inhibits the pathogenesis of the inflammatory and autoimmune disease rheumatoid arthritis (RA). To the best of our knowledge, no research has been done that explains the network-pharmacology-based anti-rheumatic processes by focusing on the endocannabinoid system. Therefore, the purpose of this study is to further our understanding of the signaling pathways, associated proteins, and genes underlying RA based on the abundant natural endocannabinoids. The knowledge on how the phytocannabinoids in Cannabis sativa affect the endocannabinoid system was gathered from the literature. SwissTarget prediction and BindingDB databases were used to anticipate the targets for the phytocannabinoids. The genes related to RA were retrieved from the DisGeNET and GeneCards databases. Protein–protein interactions (high confidence > 0.7) were carried out with the aid of the string web server and displayed using Cytoscape. The Kyoto Encyclopedia of Genes and Genomes (KEGG) metabolic pathway analysis was used to perform enrichment analyses on the endocannabinoid–RA common targets. ShinyGO 0.76 was used to predict the biological processes listed in the Gene Ontology (GO) classification system. The binding affinity between the ligand and the receptors was precisely understood using molecular docking, induced-fit docking, and a molecular dynamics simulation. The network pharmacology analyses predicted that processes like response to oxygen-containing compounds and peptodyl-amino acid modification are related to the potential mechanisms of treatment for RA. These biological actions are coordinated by cancer, neuroactive ligand–receptor interaction, lipids and atherosclerosis, the calcium signaling pathway, and the Rap1 signaling pathway. According to the results of molecular docking, in the context of RA, ...
Keywords	cannabis ; Cannabis sativa ; endocannabinoid system ; inflammation ; network pharmacology ; Science ; Q
Subject code	612
Language	English
Publishing date	2023-03-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Possible role of serotonin in the gastrokinetic activity of Amorphophallus paeoniifolius tuber

Yadu Nandan Dey / Shivani Mahor / Deepti Sharma / Manish M. Wanjari / Dharmendra Kumar / Jyoti Sharma

Phytomedicine Plus, Vol 2, Iss 2, Pp 100275- (2022)

2022

Abstract: Background: : Amorphophallus paeoniifolius (Dennst.) Nicolson (Araceae) tuber is consumed by various tribes for the treatment of constipation, hemorrhoids, functional dyspepsia and abdominal pain as ethnomedicinal practices. In our previous study, the ... ...

Abstract	Background: : Amorphophallus paeoniifolius (Dennst.) Nicolson (Araceae) tuber is consumed by various tribes for the treatment of constipation, hemorrhoids, functional dyspepsia and abdominal pain as ethnomedicinal practices. In our previous study, the tuber extract showed alteration of gastric emptying in healthy rats and ameliorated the gastrointestinal motor disorders, constipation and piles. Aim of the study: : Hence, the present study evaluated the effect of Amorphophallus paeoniifolius tuber on experimentally-induced delayed gastric emptying in rats as well as investigated the plausible mechanism involved therein. Methods: : Methanolic extract of Amorphophallus paeoniifolius (APME) was orally administered at the doses of 125, 250 and 500 mg/kg for 7 days. Delayed gastric emptying was induced in rats by cisplatin (10 mg/kg, i.p.) on the last day of extract treatment and gastric emptying was studied. To study the involvement of serotonergic system, the effect of APME (500 mg/kg) was investigated on gastric emptying in p-chlorophenylalanine (PCPA, a serotonergic neurotoxin) treated rats. Ex-vivo studies in isolated tissue preparation were also conducted to test the effect of APME on fundus contractility. Results: : APME significantly reversed the delayed gastric emptying caused by cisplatin comparable to standard prokinetic drug, metoclopramide. Interestingly, the co-administration of sub-maximal doses of APME and metoclopramide showed synergistic effect on delayed gastric emptying. Further, in PCPA treated rats, APME (500 mg/kg) did not show any significant influence on delayed gastric emptying similar to metoclopramide. In Ex-vivo studies, the contractile response of APME remained unaltered in presence of atropine while it was potentiated significantly (P < 0.001) in presence of 5-HT as compared to the individual responses of 5-HT or APME. Phytochemical studies revealed the presence of betulinic acid in APME which is partial serotonergic agonist. Conclusion: : The tuber of Amorphophallus paeoniifolius ...
Keywords	Functional dyspepsia ; Cisplatin ; 5-HT ; Rat fundus ; P-chlorophenylalanine ; Metoclopramide ; Other systems of medicine ; RZ201-999
Language	English
Publishing date	2022-05-01T00:00:00Z
Publisher	Elsevier
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Potential of histone deacetylase inhibitors in the control and regulation of prostate, breast and ovarian cancer

Siddhartha Das Pramanik / Amit Kumar Halder / Ushmita Mukherjee / Dharmendra Kumar / Yadu Nandan Dey / Mogana R

Frontiers in Chemistry, Vol

2022 Volume 10

Abstract: Histone deacetylases (HDACs) are enzymes that play a role in chromatin remodeling and epigenetics. They belong to a specific category of enzymes that eliminate the acetyl part of the histones’ -N-acetyl lysine, causing the histones to be wrapped ... ...

Abstract	Histone deacetylases (HDACs) are enzymes that play a role in chromatin remodeling and epigenetics. They belong to a specific category of enzymes that eliminate the acetyl part of the histones’ -N-acetyl lysine, causing the histones to be wrapped compactly around DNA. Numerous biological processes rely on HDACs, including cell proliferation and differentiation, angiogenesis, metastasis, gene regulation, and transcription. Epigenetic changes, specifically increased expression and activity of HDACs, are commonly detected in cancer. As a result, HDACi could be used to develop anticancer drugs. Although preclinical outcomes with HDACs as monotherapy have been promising clinical trials have had mixed results and limited success. In both preclinical and clinical trials, however, combination therapy with different anticancer medicines has proved to have synergistic effects. Furthermore, these combinations improved efficacy, decreased tumor resistance to therapy, and decreased toxicity. In the present review, the detailed modes of action, classification of HDACs, and their correlation with different cancers like prostate, breast, and ovarian cancer were discussed. Further, the different cell signaling pathways and the structure-activity relationship and pharmaco-toxicological properties of the HDACi, and their synergistic effects with other anticancer drugs observed in recent preclinical and clinical studies used in combination therapy were discussed for prostate, breast, and ovarian cancer treatment.
Keywords	HDAC inhibitors (HDACi) ; prostate cancer ; breast cancer ; ovarian cancer ; Histone deacetylase (HDAC) ; Chemistry ; QD1-999
Subject code	610
Language	English
Publishing date	2022-08-01T00:00:00Z
Publisher	Frontiers Media S.A.
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Analgesic, anti-inflammatory and antipyretic activities of ethanolic extract of stem bark of Anogeissus latifolia Roxb

Vikas Chandra Sharma / Atul Kaushik / Yadu Nandan Dey / Bhavana Srivastava / Manish Wanjari / Bhagat Jaiswal

Clinical Phytoscience, Vol 6, Iss 1, Pp 1-

2020 Volume 9

Abstract: Abstract Background Stem bark of Anogeissus latifolia Roxb (family: Combretaceae) is used traditionally and ethnomedicinally to alleviate pain, inflammation and fever conditions. The current study investigates the analgesic, anti-inflammatory and ... ...

Abstract	Abstract Background Stem bark of Anogeissus latifolia Roxb (family: Combretaceae) is used traditionally and ethnomedicinally to alleviate pain, inflammation and fever conditions. The current study investigates the analgesic, anti-inflammatory and antipyretic activities of ethanolic extract of stem bark of Anogeissus latifolia Roxb. Method The HPLC studies were carried out to standardize the stem bark ethanolic extract of Anogeissus latifolia (ALEE) using ellagic acid as a marker. ALEE was screened for analgesic (formalin-induced pain and acetic acid induced writhing) and anti-inflammatory (formalin and carrageenan-induced paw oedema) activities in Wistar rats. Before 1 h of acetic acid or formalin or carrageenan injection, rats were orally fed with ALEE (100, 200 and 400 mg/kg), Aspirin (100 mg/kg) or Indomethacin (10 mg/kg). Antipyretic effect was studied in brewer’s yeast-induced pyrexia model in rats using Paracetamol (100 mg/kg) as a standard drug. Results HPLC analysis of ALEE revealed the presence of ellagic acid. ALEE treatment (200 and 400 mg/kg) significantly inhibited pain response in both models. ALEE treatments prevented the raise of paw volume in both in-vivo models with percent inhibition of 44.40 and 46.21, respectively at 5 h. ALEE also showed a significant reduction of yeast-induced pyrexia till 4 h of treatment. Conclusion ALEE exhibited analgesic, anti-inflammatory and antipyretic property in experimental models and validates traditional use of ALEE in pain, inflammation and fever.
Keywords	Dhau ; HPLC ; Anogeissus latifolia ; Inflammation ; Fever ; Ellagic acid ; Medicine ; R ; Homeopathy ; RX1-681
Language	English
Publishing date	2020-04-01T00:00:00Z
Publisher	SpringerOpen
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: PHARMACOGNOSTIC EVALUATION AND PHYTOCHEMICAL ANALYSIS OF THE TUBER OF AMORPHOPHALLUS PAEONIIFOLIUS

Yadu Nandan Dey

International Journal of Pharmaceutical Research and Development, Vol 2, Iss 9, Pp 6-

2010 Volume 7

Abstract: The present research was done for the Pharmacognostic evaluation of the dried powder of the tuber of Amorphophallus paeoniifolius. The macroscopic and physical characteristics of the plant extracts and the physical constants of the dried plants were ... ...

Abstract	The present research was done for the Pharmacognostic evaluation of the dried powder of the tuber of Amorphophallus paeoniifolius. The macroscopic and physical characteristics of the plant extracts and the physical constants of the dried plants were determined. From this study the ash value was found to be 7.35 %.The water soluble ash and the acid insoluble ash were 3.09 and 1.47 respectively. The acid neutralizing capacity of the tuber of plant was 12.066 mEq of 1 N Hcl and the loss on drying was found to be 5.1%. Phytochemical screening of methanolioc extract indicated the presence of steroids, flavonoids, alkaloids and carbohydrates. Phytochemical screening of Petroleum ether extract indicates the presence of steroids, fats and fixed oil.
Keywords	Phytochemical analysis ; Amorphophallus paeoniifolius ; Ash value ; Extractive values ; Physical constants ; Therapeutics. Pharmacology ; RM1-950 ; Medicine ; R ; DOAJ:Therapeutics ; DOAJ:Medicine (General) ; DOAJ:Health Sciences
Language	English
Publishing date	2010-11-01T00:00:00Z
Publisher	rtechnology
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Network pharmacology-based assessment to elucidate the molecular mechanism of anti-diabetic action of Tinospora cordifolia

Pukar Khanal / B. M. Patil / Bijendra K. Mandar / Yadu Nandan Dey / Taaza Duyu

Clinical Phytoscience, Vol 5, Iss 1, Pp 1-

2019 Volume 9

Abstract: Abstract Background Tinospora cordifolia is used traditionally for the treatment of diabetes and is used in various formulations. Scientific evidence is also available for its anti-diabetic potency under various animal models. However, the probable ... ...

Abstract	Abstract Background Tinospora cordifolia is used traditionally for the treatment of diabetes and is used in various formulations. Scientific evidence is also available for its anti-diabetic potency under various animal models. However, the probable molecular mechanism of Tinospora cordifolia in the treatment of diabetes has not been illuminated yet. Hence, the present study dealt to elucidate the probable molecular mechanism of anti-diabetic effect of Tinospora cordifolia using network pharmacology approach. Methods The structural information of bioactive phytoconstituents was retrieved from different open source databases. Compounds were then predicted for their hits with the probable targets involved in the diabetes mellitus. Phytoconstituents were also predicted for their druglikeness score, probable side effects, and ADMET profile. The modulated protein pathways were identified by using the Kyoto Encyclopedia of Genes and Genomes pathway analysis. The interaction between the compounds, proteins, and pathways was interpreted based on the edge count. The docking study was performed using Autodock4.0. Results Nine phytoconstituents from Tinospora cordifolia were identified to modulate the pathogenic protein molecules involved in diabetes mellitus. Among them, tembetarine scored highest druglikeness hit and had the maximum interaction with proteins involved in diabetes. Further, neuroactive ligand-receptor interaction was predicted as majorly modulated pathway. Conclusion The current study identified an important antidiabetic constituent, tembetarine which modulated the majority of diabetic proteins majorly modulating neuroactive ligand-receptor interaction.
Keywords	Diabetes mellitus ; Network pharmacology ; Neuroactive ligand-receptor interaction ; Tembetarine ; Tinospora cordifolia ; Medicine ; R ; Homeopathy ; RX1-681
Language	English
Publishing date	2019-11-01T00:00:00Z
Publisher	SpringerOpen
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Analgesic and Anti-inflammatory Activities of Trayodashang Guggulu, an Ayurvedic Formulation

Shivani Gupta / Yadu Nandan Dey / Pushpendra Kannojia / Amit Kumar Halder / Deepti Sharma / Manish M. Wanjari / Shridhar Chougule / Sharad Pawar / Atul Kaushik / Sudesh N. Gaidhani / Shailendra Gurav

Phytomedicine Plus, Vol 2, Iss 3, Pp 100281- (2022)

2022

Abstract: ABSTRACT: Background: Trayodashang guggulu (TG) is a compound Ayurvedic formulation used in Indian traditional system of medicine for the treatment of various inflammatory conditions like arthritis and associated pain.Purpose:To study the analgesic and ... ...

Abstract	ABSTRACT: Background: Trayodashang guggulu (TG) is a compound Ayurvedic formulation used in Indian traditional system of medicine for the treatment of various inflammatory conditions like arthritis and associated pain.Purpose:To study the analgesic and anti-inflammatory effects of trayodashang guggulu.Methods: Trayodashang guggulu (TG) was standardized as per standard procedures and TLC profile was carried as per Ayurvedic Pharmacopoeia of India and LC-MS analysis was done to identify its bioactive constituents. Trayodashang guggulu was suspended in water and administered orally at 270 and 540 mg/kg dose for evaluating pain and inflammation in rats. Analgesic activity was assessed by Eddy's hot plate, tail immersion and formalin-induced pain models while anti-inflammatory activity was assessed by carrageenan and formalin-induced inflammation models. Further, the mechanism of anti-inflammatory action is predicted through various in silico methods like molecular docking and dynamics studies using AutodockVina and AMBER, respectively.Results: TG was found compliant as per pharmacopoeial standards. TG (270 and 540 mg/kg, orally) did not cause significant reduction in pain in centrally acting pain models i.e. Eddy's hot plate and tail immersion tests as like Pentazocin (10 mg/kg). In formalin-induced pain model, TG (270 and 540 mg/kg, orally) significantly decreased both flinching and licking pain responses in early and late phase while indomethacin (10 mg/kg) only affected late phase flinching and licking. Further, TG showed significant time-dependent reduction in formalin and carrageenan-induced inflammation as compared to vehicle control. Indomethacin (10 mg/kg), standard drug also showed significant reduction in pain and inflammation. LC-MS analysis revealed the presence of 17 phytoconstituents in TG. Further, in silico studies revealed that some of the identified phytochemicals may have inhibitory activity against COX-2 enzyme and the synergistic effects due to multi components may be responsible for the ...
Keywords	Indomethacin ; Inflammatory pain ; Carrageenan ; Formalin ; Arthritis ; Other systems of medicine ; RZ201-999
Subject code	616
Language	English
Publishing date	2022-08-01T00:00:00Z
Publisher	Elsevier
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Beneficial effect of standardized extracts of Amorphophallus paeoniifolius tuber and its active constituents on experimental constipation in rats

Yadu Nandan Dey / Manish M. Wanjari / Bhavana Srivastava / Dharmendra Kumar / Deepti Sharma / Jyoti Sharma / Sudesh Gaidhani

Heliyon, Vol 6, Iss 5, Pp e04023- (2020)

2020

Abstract: The tubers of Amorphophallus paeoniifolius (Elephant foot yam), principally consumed as crop food and vegetables, are used in ethno-medicinal practices in mitigation of constipation and piles. Hence, present study evaluated the effect of tubers of A. ... ...

Abstract	The tubers of Amorphophallus paeoniifolius (Elephant foot yam), principally consumed as crop food and vegetables, are used in ethno-medicinal practices in mitigation of constipation and piles. Hence, present study evaluated the effect of tubers of A. paeoniifolius and its active constituents glucomannan and betulinic acid on experimentally-induced constipation. The tuber and its extracts were standardized as per Ayurvedic Pharmacopoeia of India and physicochemical constants were found within the pharmacopoeial limit. HPTLC fingerprint profile of extracts has been developed using suitable mobile phase. Methanolic extract was subjected to column chromatography. The isolated phytoconstituents were characterized by FT-IR, NMR and MS and identified as betulinic acid and β-sitosterol. Functional constipation was induced in rats by oral administration of loperamide (3 mg/kg) for first 3 consecutive days. The rats were orally treated with methanolic and aqueous tuber extracts in the doses of 125, 250 and 500 mg/kg, glucomannan (300 mg/kg) and betulinic acid (1.5 mg/kg) for 7 days. The parameters viz. number of stools, wet weight of stools and moisture content of stools and intestinal transit were studied. Treatment with tuber extracts, glucomannan and betulinic acid showed significant (p < 0.05) increase in fecal parameters and intestinal transit in constipated rats. The effects were comparable to standard laxative drug, sodium picosulfate (5 mg/kg, orally). The results indicated that tuber extracts and its active constituents showed laxative effect and relieved constipation. It is concluded that tuber of A. paeoniifolius exhibited beneficial effect in functional constipation possibly through its laxative action. The study validates its ethno-medicinal use in correction of constipation. The principal constituents, betulinic acid and glucomannan in tuber extracts might have played important role in relieving the constipation.
Keywords	Food science ; Pharmaceutical science ; Loperamide ; Rats ; Constipation ; Glucomannan ; Science (General) ; Q1-390 ; Social sciences (General) ; H1-99
Subject code	540
Language	English
Publishing date	2020-05-01T00:00:00Z
Publisher	Elsevier
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Integration of System Biology Tools to Investigate Huperzine A as an Anti-Alzheimer Agent

Pukar Khanal / Farshid Zargari / Bahareh Farasati Far / Dharmendra Kumar / Mogana R / Yasir K. Mahdi / Najwan K. Jubair / Shailendra K. Saraf / Parveen Bansal / Ranjit Singh / Malarvili Selvaraja / Yadu Nandan Dey

Frontiers in Pharmacology, Vol

2021 Volume 12

Abstract: Aim: The present study aimed to investigate huperzine A as an anti-Alzheimer agent based on the principle that a single compound can regulate multiple proteins and associated pathways, using system biology tools.Methodology: The simplified molecular- ... ...

Abstract	Aim: The present study aimed to investigate huperzine A as an anti-Alzheimer agent based on the principle that a single compound can regulate multiple proteins and associated pathways, using system biology tools.Methodology: The simplified molecular-input line-entry system of huperzine A was retrieved from the PubChem database, and its targets were predicted using SwissTargetPrediction. These targets were matched with the proteins deposited in DisGeNET for Alzheimer disease and enriched in STRING to identify the probably regulated pathways, cellular components, biological processes, and molecular function. Furthermore, huperzine A was docked against acetylcholinesterase using AutoDock Vina, and simulations were performed with the Gromacs package to take into account the dynamics of the system and its effect on the stability and function of the ligands.Results: A total of 100 targets were predicted to be targeted by huperzine A, of which 42 were regulated at a minimum probability of 0.05. Similarly, 101 Kyoto Encyclopedia of Genes and Genomes pathways were triggered, in which neuroactive ligand–receptor interactions scored the least false discovery rate. Also, huperzine A was predicted to modulate 54 cellular components, 120 molecular functions, and 873 biological processes. Furthermore, huperzine A possessed a binding affinity of −8.7 kcal/mol with AChE and interacted within the active site of AChE via H-bonds and hydrophobic interactions.
Keywords	Alzheimer’s disease ; huperzine A ; system biology ; donepezil ; ligand–receptor interactions ; Therapeutics. Pharmacology ; RM1-950
Subject code	500
Language	English
Publishing date	2021-12-01T00:00:00Z
Publisher	Frontiers Media S.A.
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Computational and network pharmacology analysis of bioflavonoids as possible natural antiviral compounds in COVID-19

Rajesh Patil / Rupesh Chikhale / Pukar Khanal / Nilambari Gurav / Muniappan Ayyanar / Saurabh Sinha / Satyendra Prasad / Yadu Nandan Dey / Manish Wanjari / Shailendra S. Gurav

Informatics in Medicine Unlocked, Vol 22, Iss , Pp 100504- (2021)

2021

Abstract: Bioflavonoids are the largest group of plant-derived polyphenolic compounds with diverse biological potential and have also been proven efficacious in the treatment of Severe Acute Respiratory Syndrome (SARS) and Middle East Respiratory Syndrome (MERS). ... ...

Abstract	Bioflavonoids are the largest group of plant-derived polyphenolic compounds with diverse biological potential and have also been proven efficacious in the treatment of Severe Acute Respiratory Syndrome (SARS) and Middle East Respiratory Syndrome (MERS). The present investigation validates molecular docking, simulation, and MM-PBSA studies of fifteen bioactive bioflavonoids derived from plants as a plausible potential antiviral in the treatment of COVID-19. Molecular docking studies for 15 flavonoids on the three SARS CoV-2 proteins, non-structural protein-15 Endoribonuclease (NSP15), the receptor-binding domain of spike protein (RBD of S protein), and main protease (Mpro/3CLpro) were performed and selected protein-ligand complexes were subjected to Molecular Dynamics simulations. The molecular dynamics trajectories were subjected to free energy calculation by the MM-PBSA method. All flavonoids were further assessed for their effectiveness as adjuvant therapy by network pharmacology analysis on the target proteins. The network pharmacology analysis suggests the involvement of selected bioflavonoids in the modulation of multiple signaling pathways like p53, FoxO, MAPK, Wnt, Rap1, TNF, adipocytokine, and leukocyte transendothelial migration which plays a significant role in immunomodulation, minimizing the oxidative stress and inflammation. Molecular docking and molecular dynamics simulation studies illustrated the potential of glycyrrhizic acid, amentoflavone, and mulberroside in inhibiting key SARS-CoV-2 proteins and these results could be exploited further in designing future ligands from natural sources.
Keywords	Amentoflavone ; Bioflavonoids ; In-silico study ; Glycyrrhizic acid ; Novel Coronavirus-2 ; Mulberroside ; Computer applications to medicine. Medical informatics ; R858-859.7
Subject code	540
Language	English
Publishing date	2021-01-01T00:00:00Z
Publisher	Elsevier
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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