Anti-inflammatory Activity and In silico Approaches on Root Extract of Decalepis hamiltonii Wight & Arn

Objective: In silico design and molecular docking of 1,2-benzisoxazole derivatives for their analgesic and anti-inflammatory activity using computational methods.Methods: In silico molecular properties of 1,2-benzisoxazole derivatives were predicted using various software’s such as Chemsketch, Molinspiration, PASS and Schrodinger to select compounds having optimum drug-likeness, molecular descriptors resembling those of standard drugs and not violating the ‘Lipinski rule of 5’. Molecular docking was performed on active site of nicotinic acetylcholine receptor (PDB: 2KSR) for analgesic activity and COX-2 (PDB: 6COX) for anti-inflammatory activity using Schrodinger under maestro molecular modelling environment.Results: From the results of molecular docking studies of 1,2-benzisoxazole derivatives, all the compounds showed good binding interactions with Nicotinic acetylcholine receptor and COX-2. Compounds 4a and 4c showed highest binding scores (-7.46 and-7.21 respectively) with nicotinic acetylcholine receptor and exhibited maximum analgesic activity. Compound 4a showed highest binding score (-7.8) with COX-2 and exhibited maximum anti-inflammatory activity.Conclusion: All the derivatives of 1,2-benzisoxazole showed good analgesic and anti-inflammatory activity as predicted using molecular docking on respective receptors.

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Synthesis and Prognosis of Anti-inflammatory Activity of 2-substituted 5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-4(3h)-one

Bulletin of Science and Practice ◽

10.33619/2414-2948/73/02 ◽

2021 ◽

Vol 7 (12) ◽

pp. 25-33

Author(s):

A. Chiriapkin ◽

I. Kodonidi ◽

A. Ivchenko ◽

L. Smirnova

Keyword(s):

Acetic Acid ◽

Biological Activity ◽

Dimethyl Sulfoxide ◽

In Silico ◽

Glacial Acetic Acid ◽

Inflammatory Activity ◽

Modified Method ◽

Anti Inflammatory ◽

Catalytic Addition ◽

Derivatives Of

The article presents a modified method for the synthesis of 2-substituted 5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-4(3H)-one and the predict of their anti-inflammatory activity. The proposed method for obtaining tetrahydrothienopyrimidine derivatives is preparatively effective and simple. Their synthesis was carried out by heterocyclization of azomethine derivatives of 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide in the medium of glacial acetic acid with the catalytic addition of dimethyl sulfoxide. Preliminary prognosis of anti-inflammatory activity in silico method allowed us to identify the most promising compounds. Of these, the 4b structure containing a 2-hydroxyphenyl fragment in the second position of pyrimidine-4(3H)-one may be of the greatest interest. It seems appropriate to further study the spectrum of biological activity of the studied compounds.

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Biological Evaluation and Docking Analysis of Daturaolone as Potential Cyclooxygenase Inhibitor

Evidence-based Complementary and Alternative Medicine ◽

10.1155/2016/4098686 ◽

2016 ◽

Vol 2016 ◽

pp. 1-7 ◽

Cited By ~ 3

Author(s):

Abdur Rauf ◽

Francesco Maione ◽

Ghias Uddin ◽

Muslim Raza ◽

Bina S. Siddiqui ◽

...

Keyword(s):

In Silico ◽

Biological Evaluation ◽

Inflammatory Activity ◽

Active Constituent ◽

Ligand Complex ◽

Reference Drug ◽

Paw Oedema ◽

Anti Inflammatory ◽

Dose Dependent

This study deals with the isolation of the active constituent(s) from a methanolic extract ofPistacia integerrimaJ. L. Stewart barks and it was also oriented to evaluate thein vivoandin silicoanti-inflammatory activity. By NMR and crystallography techniques, we have isolated a triterpenoid identified as daturaolone (compound1). This compound showedin vivoa significant and dose dependent (1–30 mg/kg) anti-inflammatory activity on carrageenan-induced mouse paw oedema (ED50= 10.1 mg/kg) and on acetic acid-induced writhing responses in mice (ED50= 13.8 mg/kg). In thein vivoexperiments, the effect of tested compound was also evaluated in presence of the reference drug diclofenac (1–30 mg/kg). Moreover,in silicoanalysis of receptor ligand complex shows that compound1interacts with cyclooxygenases (COXs) binding sites displaying an interesting interaction with COX-1. These findings suggest that compound1isolated fromP.integerrimapossessesin vivoanti-inflammatory and antinociceptive potentials, which are supportedin silicoby an interaction with COXs receptors.

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Analgesic and anti-inflammatory activity of a crude root extract of Pfaffia glomerata (Spreng) Pedersen

Journal of Ethnopharmacology ◽

10.1016/j.jep.2004.08.035 ◽

2005 ◽

Vol 96 (1-2) ◽

pp. 87-91 ◽

Cited By ~ 63

Author(s):

A.G. Neto ◽

J.M.L.C. Costa ◽

C.C. Belati ◽

A.H.C. Vinhólis ◽

L.S. Possebom ◽

...

Keyword(s):

Inflammatory Activity ◽

Root Extract ◽

Pfaffia Glomerata ◽

Anti Inflammatory

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In Silico Exploration of Anti-Inflammatory Activity of Natural Coumarinolignoids

Chemical Biology & Drug Design ◽

10.1111/j.1747-0285.2011.01173.x ◽

2011 ◽

Vol 78 (4) ◽

pp. 567-579 ◽

Cited By ~ 18

Author(s):

Abha Meena ◽

Dharmendra K. Yadav ◽

Ankit Srivastava ◽

Feroz Khan ◽

Debabrata Chanda ◽

...

Keyword(s):

In Silico ◽

Inflammatory Activity ◽

Anti Inflammatory

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Anti-inflammatory and Anti-arthritic Potentials of Maesa Montana Roots

Walailak Journal of Science and Technology (WJST) ◽

10.48048/wjst.2021.9564 ◽

2021 ◽

Vol 18 (16) ◽

Author(s):

Sanjida SHARMIN ◽

Rabeya Gazi JHUMA ◽

Sanjida ISLAM ◽

Riniara KHATUN

Keyword(s):

Bovine Serum ◽

Protein Denaturation ◽

Inflammatory Activity ◽

Flowering Plant ◽

Activity Measurement ◽

Root Extract ◽

Standard Drug ◽

Activity Test ◽

Anti Inflammatory

Maesa Montana is a flowering plant of the Myrsinaceae family, which is locally known as ramjani. The current study aimed to evaluate the in-vitro anti-arthritic and anti-inflammatory activities of the root extract of this plant. The anti-inflammatory performances were measured by the hindrance of egg white denaturation, and anti-arthritic activity was investigated by Bovine serum protein. In the anti-inflammatory activity test, the methanolic root extract of this plant showed 69.29 ± 1.19 % of inhibition at a concentration of 1000 µg/mL and standard drug exhibited 90.11 ± 1.45 % of inhibition at the same concentration. Furthermore, in the anti-arthritic activity test, the extract demonstrated 68.18 ± 1.34 % of inhibition at a concentration of 1000 µg/mL whereas the standard diclofenac drug showed 90.65 ± 1.19 % of inhibition at the same concentration. These results revealed that the root extract of this plant possesses significant anti-arthritic and anti-inflammatory activities based on the inhibition of BSA and protein denaturation. HIGHLIGHTS Methanol soluble compounds extraction from the roots of Maesa Montana Anti-inflammatory activity determination using egg albumin Anti-arthritic activity measurement using bovine serum albumin GRAPHICAL ABSTRACT

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In vitro anti-inflammatory activity of mangrove plant Rhizophora mucronata Lam. (Malpighiales: Rhizophoraceae)

Brazilian Journal of Biological Sciences ◽

10.21472/bjbs.051018 ◽

2018 ◽

Vol 5 (10) ◽

pp. 417-426 ◽

Cited By ~ 1

Author(s):

Samanjit Kaur ◽

M. Syed Ali ◽

V. Anuradha ◽

V. Suganya ◽

A. Ashashalini ◽

...

Keyword(s):

Protein Denaturation ◽

Inflammatory Activity ◽

Bark Extract ◽

Root Extract ◽

Rhizophora Mucronata ◽

Membrane Stabilization ◽

In Vivo Models ◽

Maximum Inhibition ◽

Anti Inflammatory

In the present study, analysis of in vitro inflammatory showed whole plant of Rhizophora mucronata Lam. (Malpighiales: Rhizophoraceae) can be the potent source. The data from this study showed that the R. mucronata leaf, bark and root extract could serve as an important anti-inflammatory agent. Moreover, among the three extracts, the stilt root and leaves extract showed highest anti inflammatory. In vitro anti-inflammatory activity of the selected plant extracts was evaluated using albumin denaturation, membrane stabilization and proteinase inhibitory assays. As part of the investigation on the mechanism of the anti-inflammation activity, ability of extract protein denaturation was studied. Maximum inhibition (296.26%) was observed from root extract followed by bark (259.48%) and leaf (237.62%). The extracts inhibited the heat induced hemolysis of RBCs to varying degree as show in table below. The maximum inhibition 284.17% was observed from bark extract followed by root (265.05%) and leaf (232.61%). It reveals that these phytochemical constituents are responsible to maximum protection of protein denaturation, albumin denaturation and membrane stabilization assay. The future work will be determination of anti-inflammatory and anti-arthritic activities by in vivo models.

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