Arkajyoti Paul

The aim of the study to find the mechanism of action of the isolated compounds from Pistia stratiotes was explored the α-amylase inhibitory activity by molecular docking analysis used for three phytoconstituents namely beta-sitosterol, daucoterol and sitoindoside I isolated from P. stratiotes, to identify whether these compounds interact with the responsible protein (α-amylase enzyme). α wide range of docking score found during molecular docking. Beta-sitosterol, daucoterol and sitoindoside I showed the docking score-3.783,-3.526 and-5.322 respectively. Among all the compounds, sitoindoside I showed best docking score, glide emodel and glide energy and it might be highly considered as safe drug for human. Further in vivo investigation need to identify whether isolated compounds from P. stratiotes have α-amylase inhibitory activity or not.

Piper Betle, Pterospermum acerifolium, Saraca indica, Argyreia speciosa, and Rhaphidophora glauca are medicinal plants commonly used as traditional medicine for the treatment of various diseases. To examine, whether organic extracts of these plants possess thrombolytic properties with minimal or no toxicity is our main aim of the study. In vitro thrombolytic model was used to check the clot lysis effects using streptokinase (SK) as a positive control and water as a negative control. Cytotoxicity was screened by brine shrimp lethality bioassay using vincristine sulfate (VS) as positive control. Among herbal drugs, different organic extracts of P. betle, P. acerifolium, S. indica, A. speciosa, and R. glauca showed significant (P < 0.05 and P < 0.0001) clot lysis activity viz., 31.58% ±0.76%, 40.50% ±0.94%, 49.70% ±1.69%, 35.81% ±0.86%, and 43.80% ±0.91%, respectively, compared to reference drug SK (79.32% ±1.629%). In brine shrimp cytotoxic assay, mortality achieved by the extracts showed lethal concentration 50 (LC50) values 274.64 ± 3.46, 215.60 ± 4.59, 478.40 ± 6.98, 233.37 ± 2.56, and 209.32 ± 1.98 μg/ml, respectively, with reference to VS (LC50, 0.05 ± 0.34). In this study, S. indica, R. glauca, and P. acerifolium possessed effective thrombolytic activity. Further studies can be undertaken to identify certain structure of the ingredients in the extracts and to elucidate the precise mechanism of action. Five Bangladesh medicinal plants, named Piper betle, Pterospermum acerifolium, Saraca indica, Argyreia speciosa, and Rhaphidophora glauca were subjected to comparative antithrombotic and toxicity based analysis. In comparative study, Saraca indica showed highest clot lysis (49.70 ± 1.69%) activity among the other plant with lowest toxicity (LC50: 478.40 ± 6.98) Abbreviations Used: h: Hour; min: Minutes; sec: Second; kg: Kilogram; g: Gram; μg: Microgram; L: Liter; mL: Millilitre; μL: Micro liter; μg/mL: Microgram per Milliliter; mg/kg: Milligram per kilogram; %: Percent; °C: Degree Celsius; et al.: et alliori (and others); w/w: Weight by Weight; v/v: Volume by Volume; SEM: Standard Error Mean; LC50: lethal concentration at 50.

Anisomeles Indica (L.) Kuntze (Family-Lamiaceae) is commonly known as Gobura, is found in fallow lands throughout Bangladesh. The plant has used for carminative, astringent, tonic properties and uterine infection by the tribal in Khagrachari, Bangladesh. Our aim of the study to performed molecular docking studies to identify potential binding affinities of the phytocompounds from Anisomeles indica (L.), namely acteoside, β-Sitosterol, campneoside II, isoacteoside and stigmasterol towards BACE1 for searching of lead molecule against alzheimer's disease. A wide range of docking score found during molecular docking by Schrodinger. Acteoside, β-Sitosterol, campneoside II, isoacteoside and stigmasterol showed the docking score-6.457,-4.163,-6.300,-6.428 and-2.021 respectively. Among all the compounds acteoside showed best docking score towards BACE1. So, acteoside is the best compounds for selective BACE1 enzyme inhibition, as it possessed best value in Molecular docking. Further in vivo investigation need to identify BACE1enzyme inhibitory activity of isolated compounds from A. indica.

The aim of the present study was to evaluate anthelmintic activity on Tubifex tubifex worm of methanol extract of Macaranga denticulata (Muell. Arg.) leaves and in silico molecular docking used for six phytoconstituents namely 3-acetylaleuritolic acid, oleanolic acid, macarangin, scopoletin, β-sitosterol, stigmasterol isolated from M. denticulata, to identify whether these compounds interact with tubulin. M. denticulata leaves extract exhibited strong anthelmintic activity in vitro. Where it paralyzed (10.22±0.69min) and produced death (19.43±0.80 min) of the Tubifex tubifex at 10 mg/ml dose and the standard, Levamisole (3.3±0.38min and 6.5±0.76min) at 1 mg/ml. A wide range of docking score found during molecular docking by Schrodinger. 3-acetylaleuritolic acid, oleanolic acid, macarangin, scopoletin, β-sitosterol, stigmasterol showed the docking score-5.733,-3.951,-7.584,-6.115,-8.307-, and 8.021 respectively. Among all the compounds, β-sitosterol showed highest docking score. So, β-sitosterol is the best compounds as anthelmintic drug, as it possessed higher value in Molecular docking. Methanol extract of M. Denticulata leaves showed well anthelmintic activity. Further in vivo investigation need to identify that isolated compounds from M. denticulata have anthelmintic activity.

Epidermal Growth Factor Receptor (EGFR) is one of the four members of the Human Epidermal Receptor (HER) family, which is deregulated and over expressed in platinum resistant ovarian cancer. Thus, targeting EGFR receptor along with platinum drugs is one of the major strategies to increase the platinum drug sensitivity. That " s why, in this study, we aimed to investigate the inhibitory activity and binding site analysis of indole-3-carbinol and its active metabolite 3,3'-diindolylmethane by using molecular simulation studies, also metabolic profile had been investigated by SOM prediction. The 3,3'-diindolylmethane showed significant inhibitory activity and binding energy comparing to indole-3-carbinol, also it processed lower toxicity and will undergo aromatic hydroxylation due its high intrinsic activity and Fe accessibility. Though our research study supports previous reports of EGFR inhibition, further in vivo study is necessary for validation of toxicological and pharmacokinetic study. However, the current work tries to address most of the variables in the dynamic drug design process by In silico study in order to boost the potentiality of the selected molecule to serve as good leads in terms of optimum pharmacokinetic and toxicological attributes.

Boehmeria platyphylla leaves are deliberated as worthy traditional medicine. To give a scientific basis for traditional usage of this medicinal plant, the methanol leaf extract (MEBP) was applied for its sedative and anxiolytic activities. In this study, the sedative activity was also evaluated using open field test, hole-cross test. Besides, elevated plus maze test, hole-board test for exploratory behavior in mice were used to evaluate its anxiolytic activities. The in vivo action was done using mice of both sexes. The extract showed a dose dependent sedative effect. The number of squares traveled by the mice was decreased significantly (P<0.01) from its initial value at 0 to 90 min at the dose of 400 mg/kg body weight of the extract. In the EPM, the behavior of mice model, as observed, confirmed the anxiolytic activity of diazepam as reported previously. The methanol extract of B. platyphylla leaves (MEBP) at the dose of 400 mg/kg, significantly increased the time spent in the open arms. Hole Board test proved that the extract have significant anxiolytic activity. Because, head dipping of mice increased with the treatment of MEBP. The obtained results support that B. platyphylla has well sedative and anxiolytic effects and deserve further investigation to isolate the specific components that are responsible for the sedative and anxiolytic effects. Components from this plant may have a great potential value as medicinal agents, as leads or model compounds for synthetic or semi synthetic structure modifications and optimization.

The aim of the study to find the mechanism of action of the isolated compounds from Nauclea latifolia was explored the α-amylase inhibitory activity by molecular docking analysis used for five phytoconstituents namely beta-sitosterol, daucosterol, quinovic acid, rotundic acid and ursolic aldehyde isolated from N. latifolia, to identify whether these compounds interact with the responsible protein (α-amylase enzyme). And also ADME/T properties of the phytoconstituents were analyzed using Qikprop 3.2 module. A wide range of docking score found during molecular docking by CPI server. beta-sitosterol, daucosterol, quinovic acid, rotundic acid and ursolic aldehyde isolated showed the docking score-3.211,-3.526,-3.569,-4.199,-4.262, respectively. Among all the compounds, rotundic acid and ursolic aldehyde showed well docking score, glide emodel and glide energy. Predicted properties of beta-sitosterol, daucosterol, quinovic acid were not within the range for satisfying all the Lipinski's rule of five to be considered as drug like potential. But rotundic acid was satisfying all the Lipinski's rule of five to be considered as drug like potential. Ursolic aldehyde was satisfying all the Lipinski's rule of five except in lipophilicity (LogP) property. So, among all

The present study aims to investigate the α-amylase inhibition of ethanol extract of Alpinia nigra (EEAN) (Gaertn.) leaves by modified enzyme inhibitory action and in silico molecular docking used for five phytoconstituents namely α-fenchyl acetate, α-pinene, α-terpineol, camphene, camphor isolated from A. nigra, to identify whether these compounds interact with the responsible protein (α-amylase enzyme). And also ADME/T properties of the phytoconstituents were analyzed using Qikprop 3.2 module. EEAN had good α-amylase inhibitory activity (IC 50 = 1.803±0.032 mg/ml) as compared to Acarbose. A wide range of docking score found during molecular docking by Schrodinger. α-fenchyl acetate, α-pinene, α-terpineol, camphene, camphor showed the docking score-3.938,-3.344,-3.291,-3.463,-3.547, respectively. Among all the compounds, α-fenchyl acetate showed highest docking score. So, α-fenchyl acetate is the best compounds for α-amylase inhibition, as it possessed higher value in Molecular docking. From the ADME profiles of all the tested compounds, it cleared that they might safe for human. Further in vivo investigation need to identify whether isolated compounds from A. nigra have α-amylase inhibitory activity or not.

Acalypha indica L. (Family-Euphorbiaceae) is commonly known as Indian Acalypha, is found in fallow lands throughout Bangladesh. This plant is used in the treatment of analgesicemetic, expectorant, laxative, diuretic, bronchitis, pneumonia, asthma and pulmonary tuberculosis. The aim of present study to investigate in silico molecular docking study used for four phytoconstituents 2-methylanthraquinone, β-Sitosterol, n-octacosanol and stigmasterol which are isolated from Acalypha indica L. to identify whether these compounds interact with the responsible protein (Cyclooxygenase 1 enzyme). In silico PASS prediction of the compounds measured with server. Also ADME/T properties of the phytoconstituents were analyzed using Qikprop 3.2 module. A wide range of docking score found during molecular docking by Schrodinger. 2-methylanthraquinone, β-Sitosterol, n-octacosanol and stigmasterol showed the docking score-5.918,-2.575, 0.049 and-2.397 respectively. Among all the compounds 2-methylanthraquinone showed best docking score. So, 2-methylanthraquinone is the best compounds for selective Cyclooxygenase (COX 1) enzyme inhibition, as it possessed higher value in Molecular docking. In the PASS prediction for their analgesic activity of the isolated

Background: Piper Betle, Pterospermum acerifolium, Saraca indica, Argyreia speciosa, and Rhaphidophora glauca are medicinal plants commonly used as traditional medicine for the treatment of various diseases. To examine, whether organic extracts of these plants possess thrombolytic properties with minimal or no toxicity is our main aim of the study. Materials and Methods: In vitro thrombolytic model was used to check the clot lysis effects using streptokinase (SK) as a positive control and water as a negative control. Cytotoxicity was screened by brine shrimp lethality bioassay using vincristine sulfate (VS) as positive control. Results: Among herbal drugs, different organic extracts of P. betle, P. acerifolium, S. indica, A. speciosa, and R. glauca showed significant (P < 0.05 and P < 0.0001) clot lysis activity viz., 31.58% ±0.76%, 40.50% ±0.94%, 49.70% ±1.69%, 35.81% ±0.86%, and 43.80% ±0.91%, respectively, compared to reference drug SK (79.32% ±1.629%). In brine shrimp cytotoxic assay, mortality achieved by the extracts showed lethal concentration 50 (LC 50) values 274.64 ± 3.46, 215.60 ± 4.59, 478.40 ± 6.98, 233.37 ± 2.56, and 209.32 ± 1.98 μg/ml, respectively, with reference to VS (LC 50, 0.05 ± 0.34). Conclusion: In this study, S. indica, R. glauca, and P. acerifolium possessed effective thrombolytic activity. Further studies can be undertaken to identify certain structure of the ingredients in the extracts and to elucidate the precise mechanism of action.