Molecular dynamics simulation for screening phytochemicals as α-amylase inhibitors from medicinal plants (Unknown)
- New search for: Sharma, Priyanka
- New search for: Joshi, Tushar
- New search for: Joshi, Tanuja
- New search for: Chandra, Subhash
- New search for: Tamta, Sushma
- New search for: Sharma, Priyanka
- New search for: Joshi, Tushar
- New search for: Joshi, Tanuja
- New search for: Chandra, Subhash
- New search for: Tamta, Sushma
In:
Journal of Biomolecular Structure and Dynamics
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39
, 17
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6524-6538
;
2021
- Article (Journal) / Electronic Resource
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Title:Molecular dynamics simulation for screening phytochemicals as α-amylase inhibitors from medicinal plants
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Contributors:Sharma, Priyanka ( author ) / Joshi, Tushar ( author ) / Joshi, Tanuja ( author ) / Chandra, Subhash ( author ) / Tamta, Sushma ( author )
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Published in:Journal of Biomolecular Structure and Dynamics ; 39, 17 ; 6524-6538
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Publisher:
- New search for: Taylor & Francis
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Publication date:2021-11-22
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Size:15 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:Unknown
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Keywords:
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Source:
Table of contents – Volume 39, Issue 17
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 6339
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Designing novel inhibitors against cyclopropane mycolic acid synthase 3 (PcaA): targeting dormant state of Mycobacterium tuberculosisVerma, Jyoti / Subbarao, Naidu et al. | 2021
- 6355
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Molecular modeling studies of novel naphthyridine and isoquinoline derivatives as CDK8 inhibitorsLi, Qunlin / Feng, Kairui / Liu, Jianxin / Ren, Yujie et al. | 2021
- 6370
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Molecular crowding and conserved interface interactions of human argonaute protein-miRNA-target mRNA complexChitara, Dheeraj / Anand, Richa / Sanjeev, B. S. et al. | 2021
- 6384
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Experimental and theoretical investigations on the interaction of glucose molecules with myoglobin in the aqueous solution using theoretical and experimental methodsEslami-Farsani, Rasoul / Shareghi, Behzad / Farhadian, Sadegh / Momeni, Lida et al. | 2021
- 6396
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Homology modeling and in silico design of novel and potential dual-acting inhibitors of human histone deacetylases HDAC5 and HDAC9 isozymesElmezayen, Ammar D. / Yelekçi, Kemal et al. | 2021
- 6415
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Shear-induced aggregation of amyloid β (1–40) in a parallel plate geometrySharma, Laipubam Gayatri / Pandey, Lalit M. et al. | 2021
- 6424
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Inhibitory effects of curcumin on aldose reductase and cyclooxygenase-2 enzymesMirzaei, Mahmoud / Harismah, Kun / Soleimani, Mehdi / Mousavi, Sarah et al. | 2021
- 6431
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An investigation into the allosteric mechanism of GPCR A2A adenosine receptor with trajectory-based information theory and complex network modelWang, Qiankun / Zhang, Shan / Han, Zhongjie / Fan, Huifang / Li, Chunhua et al. | 2021
- 6440
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Molecular basis for the inhibitory effects of 5-hydroxycyclopenicillone on the conformational transition of Aβ40 monomerZhang, Huitu / Sang, Jingcheng / Li, Li / Jiang, Luying / Lu, Fuping / He, Shan / Cui, Wei / Zhang, Xiaoqing / Liu, Fufeng et al. | 2021
- 6452
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Valorisation of stachysetin from cultivated Stachys iva Griseb. as anti-diabetic agent: a multi-spectroscopic and molecular docking approachPritsas, Aristeidis / Tomou, Ekaterina-Michaela / Tsitsigianni, Eleni / Papaemmanouil, Christina D. / Diamantis, Dimitrios A. / Chatzopoulou, Paschalina / Tzakos, Andreas G. / Skaltsa, Helen et al. | 2021
- 6467
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In silico drug design and molecular docking studies targeting Akt1 (RAC-alpha serine/threonine-protein kinase) and Akt2 (RAC-beta serine/threonine-protein kinase) proteins and investigation of CYP (cytochrome P450) inhibitors against MAOB (monoamine oxidase B) for OSCC (oral squamous cell carcinoma) treatmentSharif Siam, Mohammad Kawsar / Sarker, Anusree / Sayeem, Mohammad Manzur Sharif et al. | 2021
- 6480
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Synthesis, characterization, powder X-ray diffraction analysis, thermal stability, antioxidant properties and enzyme inhibitions of M(II)-Schiff base ligand complexesBuldurun, Kenan / Turan, Nevin / Bursal, Ercan / Aras, Abdulmelik / Mantarcı, Asim / Çolak, Naki / Türkan, Fikret / Gülçin, İlhami et al. | 2021
- 6488
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Density functional theory, molecular docking and in vivo muscle relaxant, sedative, and analgesic studies of indanone derivatives isolated from Heterophragma adenophyllumS. M. Aljohani, Abdullah / Abu-Izneid, Tareq / Ali Shah, Zafar / Rashid, Umer / Ayub, Khurshid / Rauf, Abdur / Muhammad, Naveed / Alhumaydhi, Fahad A. / Asghar, Maria / Mubarak, Mohammad S. et al. | 2021
- 6500
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Spectroscopic, SOD, anticancer, antimicrobial, molecular docking and DNA binding properties of bioactive VO(IV), Cu(II), Zn(II), Co(II), Mn(II) and Ni(II) complexes obtained from 3-(2-hydroxy-3-methoxybenzylidene)pentane-2,4-dioneSakthivel, A. / Thangagiri, B / Raman, N. / Joseph, J. / Guda, Ramu / Kasula, Mamatha / Mitu, L. et al. | 2021
- 6515
-
The impact of some phenolic compounds on serum acetylcholinesterase: kinetic analysis of an enzyme/inhibitor interaction and molecular docking studyIşık, Mesut / Beydemir, Şükrü et al. | 2021
- 6524
-
Molecular dynamics simulation for screening phytochemicals as α-amylase inhibitors from medicinal plantsSharma, Priyanka / Joshi, Tushar / Joshi, Tanuja / Chandra, Subhash / Tamta, Sushma et al. | 2021
- 6539
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Understanding the structure, stability, and anti-sigma factor-binding thermodynamics of an anti-anti-sigma factor from Staphylococcus aureusSinha, Debabrata / Chakraborty, Tushar / Sinha, Debasmita / Poddar, Asim / Chattopadhyaya, Rajagopal / Sau, Subrata et al. | 2021
- 6553
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A comprehensive in silico exploration of pharmacological properties, bioactivities and COX-2 inhibitory potential of eleutheroside B from Eleutherococcus senticosus (Rupr. & Maxim.) Maxim.Ahmed, Sium / Moni, Dil Afroj / Sonawane, Kailas Dashrath / Paek, Kee Yoeup / Shohael, Abdullah Mohammad et al. | 2021
- 6567
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A self-assembled polymer therapeutic for simultaneously enhancing solubility and antimicrobial activity and lowering serum albumin binding of fusidic acidSalih, Mohammed / Walvekar, Pavan / Omolo, Calvin A. / Elrashedy, Ahmed A. / Devnarain, Nikita / Fasiku, Victoria / Waddad, Ayman Y. / Mocktar, Chunderika / Govender, Thirumala et al. | 2021
- 6585
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Designing novel epitope-based polyvalent vaccines against herpes simplex virus-1 and 2 exploiting the immunoinformatics approachSarkar, Bishajit / Ullah, Md. Asad / Araf, Yusha / Das, Sowmen / Rahman, Md. Hasanur / Moin, Abu Tayab et al. | 2021
- 6606
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Curcumin–silica nanocomplex preparation, hemoglobin and DNA interaction and photocytotoxicity against melanoma cancer cellsGhazaeian, Mehrgan / Khorsandi, Khatereh / Hosseinzadeh, Reza / Naderi, Asieh / Abrahamse, Heidi et al. | 2021
- 6617
-
Virtual screening, ADMET prediction and dynamics simulation of potential compounds targeting the main protease of SARS-CoV-2Yadav, Rohitash / Imran, Mohammed / Dhamija, Puneet / Chaurasia, Dheeraj Kumar / Handu, Shailendra et al. | 2021
- 6633
-
Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysisRazzaghi-Asl, Nima / Ebadi, Ahmad / Shahabipour, Sara / Gholamin, Danial et al. | 2021
- 6649
-
Identification of potential drug candidates to combat COVID-19: a structural study using the main protease (mpro) of SARS-CoV-2Sharma, Pradeep / Vijayan, Viswanathan / Pant, Pradeep / Sharma, Mohita / Vikram, Naval / Kaur, Punit / Singh, T. P. / Sharma, Sujata et al. | 2021
- 6660
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Identification of potential anti-TMPRSS2 natural products through homology modelling, virtual screening and molecular dynamics simulation studiesChikhale, Rupesh V. / Gupta, Vivek K. / Eldesoky, Gaber E. / Wabaidur, Saikh M. / Patil, Shripad A. / Islam, Md Ataul et al. | 2021
- 6676
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Antiviral potential of some novel structural analogs of standard drugs repurposed for the treatment of COVID-19AlAjmi, Mohamed F. / Azhar, Asim / Owais, Mohd / Rashid, Summya / Hasan, Sadaf / Hussain, Afzal / Rehman, Md Tabish et al. | 2021
- 6689
-
Tackling COVID-19: identification of potential main protease inhibitors via structural analysis, virtual screening, molecular docking and MM-PBSA calculationsAl-Shar’i, Nizar A. et al. | 2021
- 6705
-
Deciphering the protein motion of S1 subunit in SARS-CoV-2 spike glycoprotein through integrated computational methodsTian, Hao / Tao, Peng et al. | 2021
- 6713
-
Identification of promising drug candidates against NSP16 of SARS-CoV-2 through computational drug repurposing studyVijayan, Viswanathan / Pant, Pradeep / Vikram, Naval / Kaur, Punit / Singh, T. P. / Sharma, Sujata / Sharma, Pradeep et al. | 2021
- 6728
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Predictive modeling by deep learning, virtual screening and molecular dynamics study of natural compounds against SARS-CoV-2 main proteaseJoshi, Tanuja / Joshi, Tushar / Pundir, Hemlata / Sharma, Priyanka / Mathpal, Shalini / Chandra, Subhash et al. | 2021
- 6747
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Identification of polyphenols from Broussonetia papyrifera as SARS CoV-2 main protease inhibitors using in silico docking and molecular dynamics simulation approachesGhosh, Rajesh / Chakraborty, Ayon / Biswas, Ashis / Chowdhuri, Snehasis et al. | 2021
- 6761
-
In silico virtual screening, characterization, docking and molecular dynamics studies of crucial SARS-CoV-2 proteinsAlazmi, Meshari / Motwalli, Olaa et al. | 2021
- 6772
-
In silico identification of widely used and well-tolerated drugs as potential SARS-CoV-2 3C-like protease and viral RNA-dependent RNA polymerase inhibitors for direct use in clinical trialsGul, Seref / Ozcan, Onur / Asar, Sinan / Okyar, Alper / Barıs, Ibrahim / Kavakli, Ibrahim Halil et al. | 2021
- 6792
-
In silico investigation of phytoconstituents from Indian medicinal herb ‘Tinospora cordifolia (giloy)’ against SARS-CoV-2 (COVID-19) by molecular dynamics approachChowdhury, Papia et al. | 2021
- 6810
-
Protein reliability analysis and virtual screening of natural inhibitors for SARS-CoV-2 main protease (Mpro) through docking, molecular mechanic & dynamic, and ADMET profilingKapusta, Karina / Kar, Supratik / Collins, Jasmine T. / Franklin, Latasha M. / Kolodziejczyk, Wojciech / Leszczynski, Jerzy / Hill, Glake A. et al. | 2021
- 6828
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Current status and strategic possibilities on potential use of combinational drug therapy against COVID-19 caused by SARS-CoV-2Siddiqui, Arif Jamal / Jahan, Sadaf / Ashraf, Syed Amir / Alreshidi, Mousa / Ashraf, Mohammad Saquib / Patel, Mitesh / Snoussi, Mejdi / Singh, Ritu / Adnan, Mohd et al. | 2021
- 6842
-
Acute respiratory distress syndrome: a life threatening associated complication of SARS-CoV-2 infection inducing COVID-19Badraoui, Riadh / Alrashedi, Mousa M. / El-May, Michèle Véronique / Bardakci, Fevzi et al. | 2021