In Silico, In Vitro and In Vivo Anti-inflammatory and Analgesic Activity of Usnic Acid

2020 ◽  
pp. 249-261
Author(s):  
D. Sujatha ◽  
Ch. Hepsiba Rani ◽  
Shaheen Begum ◽  
Sunitha Sampathi ◽  
Saurabh Shah
Keyword(s):  
Analgesic Activity ◽  
In Silico ◽  
Usnic Acid ◽  
Anti Inflammatory

Investigation of indole functionalized pyrazoles and oxadiazoles as anti-inflammatory agents: synthesis, in-vivo, in-vitro and in-silico analysis

2021 ◽  
pp. 105068
Author(s):  
Devendra Kumar ◽  
Ravi Ranjan Kumar ◽  
Shelly Pathania ◽  
Pankaj Kumar Singh ◽  
Sourav Kalra ◽  
...  
Keyword(s):  
In Silico ◽  
In Silico Analysis ◽  
Anti Inflammatory ◽  
Silico Analysis

scholarly journals Anti-Inflammatory Potential of Daturaolone from Datura innoxia Mill.: In Silico, In Vitro and In Vivo Studies

2021 ◽  
Vol 14 (12) ◽  
pp. 1248
Author(s):  
Muhammad Waleed Baig ◽  
Humaira Fatima ◽  
Nosheen Akhtar ◽  
Hidayat Hussain ◽  
Mohammad K. Okla ◽  
...  
Keyword(s):  
In Silico ◽  
Therapeutic Potential ◽  
In Vivo Studies ◽  
Metabolic Reaction ◽  
Datura Innoxia ◽  
In Vivo Models ◽  
Immobility Time ◽  
Anti Inflammatory

Exploration of leads with therapeutic potential in inflammatory disorders is worth pursuing. In line with this, the isolated natural compound daturaolone from Datura innoxia Mill. was evaluated for its anti-inflammatory potential using in silico, in vitro and in vivo models. Daturaolone follows Lipinski’s drug-likeliness rule with a score of 0.33. Absorption, distribution, metabolism, excretion and toxicity prediction show strong plasma protein binding; gastrointestinal absorption (Caco-2 cells permeability = 34.6 nm/s); no blood–brain barrier penetration; CYP1A2, CYP2C19 and CYP3A4 metabolism; a major metabolic reaction, being aliphatic hydroxylation; no hERG inhibition; and non-carcinogenicity. Predicted molecular targets were mainly inflammatory mediators. Molecular docking depicted H-bonding interaction with nuclear factor kappa beta subunit (NF-κB), cyclooxygenase-2, 5-lipoxygenase, phospholipase A2, serotonin transporter, dopamine receptor D1 and 5-hydroxy tryptamine. Its cytotoxicity (IC50) value in normal lymphocytes was >20 µg/mL as compared to cancer cells (Huh7.5; 17.32 ± 1.43 µg/mL). Daturaolone significantly inhibited NF-κB and nitric oxide production with IC50 values of 1.2 ± 0.8 and 4.51 ± 0.92 µg/mL, respectively. It significantly reduced inflammatory paw edema (81.73 ± 3.16%), heat-induced pain (89.47 ± 9.01% antinociception) and stress-induced depression (68 ± 9.22 s immobility time in tail suspension test). This work suggests a possible anti-inflammatory role of daturaolone; however, detailed mechanistic studies are still necessary to corroborate and extrapolate the findings.

Design, synthesis, in-vitro, in-vivo and in-silico studies of pyrrolidine-2,5-dione derivatives as multitarget anti-inflammatory agents

2020 ◽  
Vol 186 ◽  
pp. 111863 ◽  
Author(s):  
Muhammad Saeed Jan ◽  
Sajjad Ahmad ◽  
Fida Hussain ◽  
Ashfaq Ahmad ◽  
Fawad Mahmood ◽  
...  
Keyword(s):  
In Silico ◽  
Design Synthesis ◽  
In Silico Studies ◽  
Anti Inflammatory

scholarly journals Anti-Inflammatory and Analgesic Potential of Chromolaena odorata: A Review

2021 ◽  
Vol 6 (9) ◽  
pp. 8-16
Author(s):  
Ali Sandi Dwi Cahyo ◽  
Sri Oktavia ◽  
Ifora Ifora
Keyword(s):  
Analgesic Activity ◽  
Inflammatory Diseases ◽  
Inflammatory Activity ◽  
Bibliographic Databases ◽  
Sources Of Information ◽  
Chromolaena Odorata ◽  
Healing Agent ◽  
Anti Inflammatory

Inflammatory diseases have affected a large proportion of the population worldwide, and inflammation is a major risk factor for several dangerous disease pathologies. The increasing incidence and impact of inflammatory diseases have prompted research into pharmacological strategies to deal with them. Chromolaena odorata is traditionally used as an anti-inflammatory, antipyretic, antioxidant, analgesic, and as a wound-healing agent. Therefore, this review aimed to obtain a comprehensive review of the anti-inflammatory activity of Chromolaena odorata. This review provides evidence in the literature for the anti-inflammatory and analgesic activity of Chromolaena odorata, from 2010 to 2021. Three bibliographic databases were used as primary sources of information (PubMed, ScienceDirect, and Google Scholar). The keywords in this research were "Anti-inflammatory", "Analgesic" and "Chromolaena odorata". A total of 7 studies were included in this review according to the required criteria, 3 of which were in vitro studies and 4 in vivo studies.Pharmacological studies reported that Chromolaena odorata was proven to have anti-inflammatory activity by inhibiting NO, NF-κβ, p38 MAPK, IL-1β, TNF-α, suppressed leukocyte cell migration, reduced of edema and Chromolaena odorata also was shown analgesic activity through significantly reduced stomach writhing and reduction pain sensation in rats. This review explains the potential importance of Chromolaena odorata as a natural anti-inflammatory and analgesic.

Synthesis and anti-inflammatory in vitro, in silico, and in vivo studies of flavone analogues

2015 ◽  
Vol 24 (6) ◽  
pp. 2656-2669 ◽  
Author(s):  
Manjulatha Khanapur ◽  
Nishal K. Pinna ◽  
Jaishree Badiger
Keyword(s):  
In Silico ◽  
In Vivo Studies ◽  
Anti Inflammatory

scholarly journals Anti-Arthritic and Anti-Inflammatory Potential of Spondias mangifera Extract Fractions: An In Silico, In Vitro and In Vivo Approach

Plants ◽  
2021 ◽  
Vol 10 (5) ◽  
pp. 825
Author(s):  
Mohammad Khalid ◽  
Mohammed H. Alqarni ◽  
Ambreen Shoaib ◽  
Muhammad Arif ◽  
Ahmed I. Foudah ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Arthritis Score ◽  
Beneficial Effects ◽  
Tnf Α ◽  
Cox 2 ◽  
Anti Inflammatory ◽  
Cox 1

The fruits of Spondias mangifera (S. mangifera) have traditionally been used for the management of rheumatism in the northeast region of India. The present study explores the probable anti-arthritis and anti-inflammatory potential of S. mangifera fruit extract’s ethanolic fraction (EtoH-F). To support this study, we first approached the parameters in silico by means of the active constituents of the plant (beta amyrin, beta sitosterol, oleonolic acid and co-crystallised ligands, i.e., SPD-304) via molecular docking on COX-1, COX-2 and TNF-α. Thereafter, the absorption, distribution, metabolism, excretion and toxicity properties were also determined, and finally experimental activity was performed in vitro and in vivo. The in vitro activities of the plant extract fractions were evaluated by means of parameters like 1,1-Diphenyl-2- picrylhydrazyl (DPPH), free radical-reducing potential, albumin denaturation, and protease inhibitory activity. The in vivo activity was evaluated using parameters like COX, TNF-α and IL-6 inhibition assay and arthritis score in Freund Adjuvant (CFA) models at a dose of 400 mg/kg b.w. per day of different fractions (hexane, chloroform, alcoholic). The molecular docking assay was performed on COX-1, COX-2 and TNF-α. The results of in vitro studies showed concentration-dependent reduction in albumin denaturation, protease inhibitors and scavenging activity at 500 µg/mL. Administration of the S. mangifera alcoholic fraction at the abovementioned dose resulted in a significant reduction (p < 0.01) in arthritis score, paw diameters, TNF-α, IL-6 as compared to diseased animals. The docking results showed that residues show a critical binding affinity with TNF-α and act as the TNF-α antagonist. The alcoholic fraction of S. mangifera extract possesses beneficial effects on rheumatoid arthritis as well as anti-inflammatory potential, and can further can be used as a possible agent for novel target-based therapies for the management of arthritis.

scholarly journals Cascade Transformations of 1-R-Ethynyl-9,10-anthraquinones with Amidines: Expanding Access to Isoaporphinoid Alkaloids

Molecules ◽  
2021 ◽  
Vol 26 (22) ◽  
pp. 6883
Author(s):  
Sergey Francevich Vasilevsky ◽  
Ol’ga Leonidovna Krivenko ◽  
Irina Vasilievna Sorokina ◽  
Dmitry Sergeevich Baev ◽  
Tatyana Genrikhovna Tolstikova ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Concanavalin A ◽  
In Silico ◽  
Intraperitoneal Injection ◽  
Antitumor Drug ◽  
Inflammatory Activity ◽  
Antitumor Properties ◽  
Anti Inflammatory

The interaction of acetamidine and phenylamidine with peri-R-ethynyl-9,10-anthraquinones in refluxing n-butanol leads to the formation of cascade transformations products: addition/elimination/cyclization―2-R-7H-dibenzo[de,h]quinolin-7-ones and(or) 2-R-3-aroyl-7H-dibenzo[de,h]quinolin-7-ones. The anti-inflammatory and antitumor properties of the new 2-R-7H-dibenzo[de,h]quinolin-7-ones were investigated in vivo, in vitro, and in silico. The synthesized compounds exhibit high anti-inflammatory activity at dose 20 mg/kg (intraperitoneal injection) in the models of exudative (histamine-induced) and immunogenic (concanavalin A-induced) inflammation. Molecular docking data demonstrate that quinolinones can potentially intercalate into DNA similarly to the antitumor drug doxorubicin.

Sign in / Sign up

Export Citation Format

Share Document