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| 1 | Molecular modeling studies of repandusinic acid as potent small molecule for hepatitis B virus through molecular docking and ADME analysis显示文摘Background:Hepatitis B virus(HBV)has affected over 300 million people worldwide which causes to induce mostly liver disease and liver cancer.It is a member of the family Hepadnaviridae which is a small DNA virus with unusual characters like retroviruses.Generally,hepatoprotective drugs provoke some side effects in human beings.For the reason,this study aims to identify alternative drug molecules from the natural source of medicinal plants with smaller quantity of side effects than those conventional drugs in treating HBV.Methods:We developed computational methods for calculating drug and target binding resemblance using the Maestro v10.2 of Schrodinger suite.The target and ligand molecules were obtained from recognized databases.Ligand molecules of 40 phytoconstituents were retrieved from variety of plants after we executed crucial analyses such as molecular docking and absorption,distribution,metabolism,and excretion(ADME)analysis.Results:In the docking analysis,the natural analogues repandusinic acid showed better docking scores of-14.768 with good binding contacts.The remaining bioactive molecules corilagin,furosin,nirurin,iso-quercetin and gallocatechin also showed better docking scores.Conclusions:This computational analysis reveals that repandusinic acid is a suitable drug candidate for HBV.Therefore,we recommend that this analogue is suitable in further exploration using in vitro studies. | Vijayakumar Subramaniyan Reetha Sekar Arulmozhi Praveenkumar Rajalakshmi Selvam | 2019 | Quantitative Biology2019，7，4： | 2 |
| 2 | Cell-wall disruption and lipid/astaxanthin extraction from microalgae: chlorella and haematococcus显示文摘 | KIM D Y VIJAYAN D PRAVEENKUMAR R | 2016 | Bioresource Technology2016，199，： | 1 |
| 3 | Follicular dendritic cell sarcoma of the neck with an aggressive and fatal course 显示文摘 | Cyriac S Praveenkumar D Majhi U | 2010 | J Cancer Res Ther2010，6，1： | 1 |
| 4 | Factors delaying hospital arrival of patients with acute stroke显示文摘 | V Ashraf M Maneesh R Praveenkumar K Saifudheen A Girija | 2015 | Annals of Indian Academy of Neurology2015，，： | 1 |
| 5 | Comparative analysis for the production of fatty acid alkyl esterase using whole cell biocatalyst and purified enzyme from Rhizopus oryzae on waste cooking oil (sunflower oil)显示文摘 | Bharathiraja Balasubramaniam Ayyappasamy Sudalaiyadum Perumal Jayamuthunagai Jayaraman Jayakumar Mani Praveenkumar Ramanujam | 2012 | Waste Management2012，，8： | 1 |
| 6 | Follicular dendritic cell sarcoma of the neck with an aggressive and fatal course显示文摘 | CYRIAC S PRAVEENKUMAR D MAJHI U | 2010 | J Cancer Res Ther2010，6，： | 1 |
| 7 | Low cholester- ol as a risk factor for primary intracerebral hemorrhage: A case-con- trol study 显示文摘 | Valappil AV Chaudhary NV Praveenkumar R | 2012 | Ann Indian Acad Neurol2012，15，1： | 1 |
| 8 | Low cholester- ol as a risk factor for primary intracerebral hemorrhage: A case-con- trol study显示文摘 | Valappil AV Chaudhary NV Praveenkumar R | 2012 | Ann Indian Acad Neurol2012，15，1： | 1 |
| 9 | Prevalence of Metabolic Syndrome in Psoriasis Patients and its Relation to Disease Duration :A Hospital BasedCase-Control Study 显示文摘 | Praveenkumar U Ganguly S Ray L | 2016 | J Clin Diagn Res2016，10，2： | 1 |
| 10 | Medical data sheet in safe havens-A tri-Iayer cryptic solution 显示文摘 | PRAVEENKUMAR P AMIRTHARAJAN R THENMOZHI K RAYAPPAN J B B | 2015 | Computers in biology and medicine2015，62，1： | 1 |
| 11 | Ag3PWl204o : A Novel and Recyclable Heterupoly Acid for the Synthesis of 1, 5- Benzodiazepines under Solvent- Free Conditions 显示文摘 | Yadav J S Reddy B V S Praveenkumar S | 2004 | Synthesis2004，，6： | 1 |
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