[PDF] Top 20 MOLECULAR DOCKING STUDIES – A REVIEW
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MOLECULAR DOCKING STUDIES – A REVIEW
... of molecular modeling, docking is a method which predicts the preferred orientation of one molecule to a second when bound to each other to form a stable ...Therefore docking is useful for predicting ... See full document
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MOLECULAR DOCKING STUDIES OF PHYTOCHEMICAL COMPOUNDS WITH VIRAL PROTEASES
... Viruses are the major pathogenic agents that can cause variety of diseases in humans, animals and plants. Several deadly diseases like Hepatitis A, Hepatitis C, encephalitis, meningitis, and influenza are caused by ... See full document
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Synthesis and Insilico Assessment of Novel Benzothiazole Series against Human DNA Topo Isomerase I
... I. Molecular docking studies were performed with the Molecular Operating Environment (London DG Scoring Function) program to afford the ideal interaction mode of the compound into the binding ... See full document
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Structure-based drug design studies of UDP-N-acetylglucosamine pyrophosphosrylase, a key enzyme for the control of witches’ broom disease
... the molecular target chosen was pyrophosphorylase enzyme, and ten ligands were finally designed to inhibit the enzyme and thereby prevent the development of the witches’ broom ...the docking results were ... See full document
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Synthesis, Evaluation and Molecular Docking Study of Some New Acetic Acid Derivatives.
... silico studies to support the in vitro activity. Automated docking was used to determine the orientation of inhibitors bound in the active site of ecKAS III ...The docking of ligand molecules with ... See full document
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Phytochemical Screening and In-Silico Investigation of 2-Benzoxazolinone from Acanthus Ilicifolius Linn. as Dual Inhibitors of Cyclooxygenase-2 and 5-Lipooxygenase Enzymes
... GOLD docking studies with BOA, targeting SC-558 binding site of COX-2 didnÊt provide desirable binding affinity and this could be due to the fact that the SC-558 binding site residueÊs electronic features ... See full document
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Synthesis, characterization and molecular docking studies of anilinoquinazoline derivatives
... The molecular docking studies were drawn using Maestro 2D sketcher and energy minimize was computed by OPLS ...Furthermore, molecular docking studies of synthesized compounds PR ... See full document
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Isolation and Molecular Docking Studies of Dihydroimperialine as Butyrylcholinesterase Inhibitor from the Bulbs of Fritillaria Imperiali
... [11]. Several alkaloids, such as forticine, impericine, impranine, dihydroimpranine, fetisinine have already been reported from this plant, which showed acetylcholinesterase inhibitory activity [7,12-14]. ... See full document
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In vitro cytotoxicity and molecular docking studies on Acanthophora spicifera
... Various algae such as Caulerpa racemosa, Halimeda opuntia, Gelidiela acerosa, Laurencia papillosa and Acanthophora spicifera, showed antimicrobial activity against Staphylococcus aureus and Bacillus subtilis in a ... See full document
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Computer aided molecular modeling and docking studies on active compounds of Maytenus emarginata (willd ) Ding Hou
... The X-ray structures of bovine rhodopsin [25, 26, 27] were the only crystal structures on any GPCR that include the 7 transmembrane domain. The obtained BLAST(Basic Local Alignment Search Tool) results have shown 1HZX, ... See full document
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MOLECULAR DOCKING AND MOLECULAR DYNAMICS STUDIES OF QUASSINOIDS AS HIV 1 TAT INHIBITORS
... Previous studies show that in Human, TAT is a toxin-producing protein allowing cell death in obtained from QSAR studies, best quassinoid compounds were used to find the highest binding affinity compound by ... See full document
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Inverse QSAR approach and Molecular docking studies to design novel methoxy substituted Chalcones and their Computational Anticancer activity evaluation
... using molecular docking and ADMET studies. In course of molecular docking studies, newly designed molecules yielded promising results with better binding capacity (Docking ... See full document
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MOLECULAR DOCKING AND MUTATIONAL STUDIES OF HUMAN SURFACTANT PROTEIN –D
... 22. Babu, Y. Ram; Krishna, K. Rama; Narasu, M. Lakshmi; Narayana, Hari A.; Ramji, M. Taraka. Docking studies of carbohydrate ligands against native and mutant surfactant protein-D from Lung Alveolar type II ... See full document
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Molecular Docking Studies of Myricetin and Its Analogues against Human PDK 1 Kinase as Candidate Drugs for Cancer
... The Molecular properties of all the compounds calculated by lip- inski were tabulated in Table ...among molecular weight, Alog P and polar surface area were represented in Figure ... See full document
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“In-Silico Design, Synthesis and Anti-Proliferative Evaluation of Acetidino-Quinazoline Derivatives” by Ayyappan Aravind, S Dhanya, India.
... molecule. Docking is very important tool in the rational design of ...modeling molecular structures, biological macromolecules (proteins and nucleic ...These docking studies gives best ... See full document
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Novel 1,3,4 (thiadiazol 2 ylamino) methyl 5 (pyridin 4 yl) 1,3,4 oxadiazol 2 thiones: synthesis, docking and antimycobacterial testing
... The molecular dock- ing tool, GLIDE (Schrodinger ...ligand docking studies into the X-ray crystal structure of cytochrome P450 14α-sterol Demethylase (14DM) from Mycobacterium in complex with ... See full document
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Molecular Modelling and Molecular Docking Studies of Natural Compounds against Parkinson disease
... as a tremor, slowed movement (bradykinesia), muscular stiffness, muscle rigidity and difficulty with balance and walking 4 . The disease is common form of parkinsonism 5 . There is no particular test for the diagnosis of ... See full document
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Molecular Docking Studies of MMP25 in Asthma
... Matrix metalloproteinase-25 is a protein which is present in humans and it is encoded by MMP25 gene. It is named as leukolysin because it is expressed in leukocytes. It is also expressed by eosinophils, neutrophils, and ... See full document
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SYNTHESIS, MOLECULAR DOCKING STUDIES AND ANTIMICROBIAL ACTIVITY OF MANNICH BASES OF THIAZOLIDINE-2,4-DIONES
... molecular docking studies with dihydropteroate synthase (DPHS, PDB ID: 3TYE) by using XP GLIDE module of Schrodinger suite and in silico studies by molinspiration online ...griseofulvin. ... See full document
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MOLECULAR MODELLING AND MOLECULAR DOCKING STUDIES OF CYP450 INHIBITORS
... In the present study, an effort was made to generate the 3D structure of the cytochrome P450 4A11 (Uniprot accession number: Q02928) from Homo sapiens. Modeller 9.17 was used for the homology modelling. The model was ... See full document
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