Molecular docking and ex vivo pharmacological evaluation of constituents of the leaves of Cleistanthus collinus (Roxb.) (Euphorbiaceae)

Parasuraman, Subramani; Raveendran, R; Balakrishnan, Vijayakumar; Velmurugan, D.; Balamurugan, Subramani

doi:10.4103/0253-7613.93848

Cited by 18 publications

(9 citation statements)

References 15 publications

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“…The molecular docking studies showed that cleistanthins A and B had a significant alpha-adrenergic receptor interaction similar to prazosin. [ 29 ] It was reported that cleistanthins A and B blocked alpha-adrenergic receptor in guinea pig vas deferens. [ 24 ] The present study also picked up similar effect as evident from the failure to record a rise in the mean arterial pressure after the administration of the catecholamines in the cleistanthin treated rats indicating the alpha-adrenergic receptor blocking property of the latter [ Figure 1 ].…”

Section: Discussionmentioning

confidence: 99%

Evaluation of the antihypertensive activity and alpha adrenergic receptor interaction of cleistanthins A and B

Priyadharsini¹,

Parasuraman²,

Raveendran³

2014

J Basic Clin Pharma

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Hypertension was induced in male Sprague Dawley rats with twice weekly administration of deoxycorticosterone acetate (DOCA) salt (20 mg/kg s.c) for 4 weeks. They were divided into eight groups of six animals each viz., hypertensive control, standard (prazosin 1 mg/kg), cleistanthin A 12.5, 25, 50 mg/kg and cleistanthin B 12.5, 25 mg/kg, and 50 mg/kg. One more group served as normal control. The hypertension was induced in 4 weeks, and the animals were given assigned treatment in 5th week. The alteration in blood pressure (BP) was recorded weekly using a rodent noninvasive blood pressure system. At the end of the experiment alpha-adrenergic receptor response of drugs like adrenaline, nor adrenaline, dopamine (doses 1 μg and 2 μg) was recorded invasively. Two-way repeated measures ANOVA followed by Bonferroni post-hoc test was used to analyze the data. The systolic BP and diastolic BP of test groups rose to a higher level after DOCA administration and fell to the normal range (P < 0.05) following the administration of cleistanthins A and B. There were no differences in the weekly heart rate among the groups. In the test group animals pretreated with prazosin and cleistanthins, adrenaline, noradrenaline and dopamine failed to raise the mean arterial pressure and the end-diastolic pressure from baseline (P > 0.05) cleistanthins A and B exert a significant antihypertensive effect through alpha-adrenergic receptor blockade similar to prazosin.

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Section: Discussionmentioning

confidence: 99%

Evaluation of the antihypertensive activity and alpha adrenergic receptor interaction of cleistanthins A and B

Priyadharsini¹,

Parasuraman²,

Raveendran³

2014

J Basic Clin Pharma

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“…Cleistanthin B was isolated from the leaves of C. collinus (Euphorbiaceae) as described in our previous study. 15 Taxonomically identified plant leaves were collected in the regions of Pondicherry district and it was certified by Botanical survey of India, Coimbatore (BSI/SC/5/23/08-09/Tech.241).…”

Section: Methodsmentioning

confidence: 99%

Evaluation of in vivo antitumor activity of cleistanthin B in Swiss albino mice

Thummar

Parasuraman

Basu

et al. 2016

Journal of Traditional and Complementary Medicine

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To evaluate the in vivo antitumor activity of cleistanthin B in Ehrlich's ascites carcinoma (EAC) and Dalton's ascites lymphoma (DAL) cell lines induced malignant ascites mouse models and DAL cell line induced solid tumor mouse model. All animals were injected with 2 × 106 EAC/DAL cells i.p./s.c. to induce malignant ascites and solid tumor and treated with 5-fluorouracil (5-FU) 20 mg/kg or cleistanthin B for 10 days. Cleistanthin B was given at three doses viz. 25, 50 and 100 mg/kg. The percentage increase in life span and the overall survival in malignant ascites animals and the tumor volume in solid tumor animals were measured. The haematological parameters were assessed in all animals before and 2 weeks after the treatment. Cleistanthin B 50 mg/kg and 5-FU significantly prolonged the life span (>25%) of malignant ascites tumor bearing animals. The overall survival was significantly improved by both. Only cleistanthin B 50 mg/kg significantly reduced the elevated WBC counts in EAC tumor bearing animals. Both 5-FU and cleistanthin B 50 mg/kg reversed the malignancy induced increase in neutrophils and platelet counts and decrease in lymphocyte counts but not to the normal range. Only 5-FU significantly reduced the solid tumor volume. None of the three doses of cleistanthin B was effective against the solid tumor. Cleistanthin B has antitumor activity against EAC and DAL tumor mice but it is not as effective as 5-FU. At 50 mg/kg dose cleistanthin B exerts significant antitumor activity compared to 25 and 100 mg/kg dose. Its effect on WBC count is higher and advantageous when compared to 5-FU. But cleistanthin B in the doses used is not effective against solid tumor.

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“…The natural compounds of cleistanthins A and B were isolated and purified from the leaves of Cleistanthus collinus using column chromatographic method and the structures were determined. [ 4 ] These structures [ Figure 1 ] were built using builder panel in Maestro and ligand preparation was carried out for these compounds by Ligprep 2.3 module (Schrödinger, USA, 2009). Ligprep performs addition of hydrogens, 2D to 3D conversion, realistic bond lengths and bond angles, low energy structure with correct chiralities, ionization states, tautomers, stereochemistries and ring conformations.…”

Section: Methodsmentioning

confidence: 99%

“…Both compounds had significant antineoplastic and hypotensive effects in rodents and its cell lines. [ 4 5 ] The in vitro studies of cleistanthins A and B compounds showed a significant diuretic effect but the effect was not comparable with standard diuretic agents. [ 4 ] Hence; the present study aims to determine the possible interactions and binding free energy of cleistanthins A and B with target of ACE-I using Induced Fit Docking and Prime Molecular Mechanics Generalized Born Surface Area (MM-GBSA) analysis.…”

Section: Introductionmentioning

confidence: 99%

Identification of natural inhibitors against angiotensin I converting enzyme for cardiac safety using induced fit docking and MM-GBSA studies

et al. 2014

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Background:Cleistanthins A and B are isolated compounds from the leaves of Cleistanthus collinus Roxb (Euphorbiaceae). This plant is poisonous in nature which causes cardiovascular abnormalities such as hypotension, nonspecific ST-T changes and QTc prolongation. The biological activity predictions spectra of the compounds show the presence of antihypertensive, diuretic and antitumor activities.Objective:Objective of the present study was to determine the in silico molecular interaction of cleistanthins A and B with Angiotensin I- Converting Enzyme (ACE-I) using Induced Fit Docking (IFD) protocols.Materials and Methods:All the molecular modeling calculations like IFD docking, binding free energy calculation and ADME/Tox were carried out using Glide software (Schrödinger LLC 2009, USA) in CentOS EL-5 workstation.Results:The IFD complexes showed favorable docking score, glide energy, glide emodel, hydrogen bond and hydrophobic interactions between the active site residues of ACE-I and the compounds. Binding free energy was calculated for the IFD complexes using Prime MM-GBSA method. The conformational changes induced by the inhibitor at the active site of ACE-I were observed based on changes of the back bone Cα atoms and side-chain chi (x) angles. The various physicochemical properties were calculated for these compounds. Both cleistanthins A and B showed better docking score, glide energy and glide emodel when compared to captopril inhibitor.Conclusion:These compounds have successively satisfied all the in silico parameters and seem to be potent inhibitors of ACE-I and potential candidates for hypertension.

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Molecular docking and ex vivo pharmacological evaluation of constituents of the leaves of Cleistanthus collinus (Roxb.) (Euphorbiaceae)

Cited by 18 publications

References 15 publications

Evaluation of the antihypertensive activity and alpha adrenergic receptor interaction of cleistanthins A and B

Evaluation of the antihypertensive activity and alpha adrenergic receptor interaction of cleistanthins A and B

Evaluation of in vivo antitumor activity of cleistanthin B in Swiss albino mice

Identification of natural inhibitors against angiotensin I converting enzyme for cardiac safety using induced fit docking and MM-GBSA studies

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