Structural analysis and prediction of potent bioactive molecule for eNOS protein through molecular docking

In Silico Pharmacology ◽

10.1007/s40203-021-00106-w ◽

2021 ◽

Vol 9 (1) ◽

Author(s):

Pallavi S. Kanthe ◽

Bheemshetty S. Patil ◽

Kusal K. Das ◽

Prachi P. Parvatikar

Keyword(s):

Molecular Docking ◽

Structural Analysis ◽

Bioactive Molecule ◽

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Structural analysis, molecular docking and molecular dynamics of an edematogenic lectin from Centrolobium microchaete seeds

International Journal of Biological Macromolecules ◽

10.1016/j.ijbiomac.2018.05.166 ◽

2018 ◽

Vol 117 ◽

pp. 124-133 ◽

Author(s):

Antonio Hadson Bastos Neco ◽

Vanir Reis Pinto-Junior ◽

David Alencar Araripe ◽

Mayara Queiroz Santiago ◽

Vinicius Jose Silva Osterne ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Structural Analysis

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Structural analysis and charge transfer properties of a novel pyrazoline derivative: potential energy scan, XRD, DFT and molecular docking studies

Indian Journal of Physics ◽

10.1007/s12648-019-01392-z ◽

2019 ◽

Vol 93 (10) ◽

pp. 1275-1291 ◽

Author(s):

Sahaj A. Gandhi ◽

Urmila H. Patel ◽

V. M. Barot ◽

N. V. S. Varma

Keyword(s):

Molecular Docking ◽

Charge Transfer ◽

Structural Analysis ◽

Potential Energy ◽

Docking Studies ◽

Molecular Docking Studies ◽

Transfer Properties ◽

Pyrazoline Derivative

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Analysis of spectroscopic, quantum chemical calculations, molecular docking, RDG, ELF, anticancer and antimicrobial activity studies on bioactive molecule 2-[3-(4-Chlorophenyl)-5-(4-(propane-2-yl) phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-methoxyphenyl)-1,3-thiazol

Chemical Data Collections ◽

10.1016/j.cdc.2020.100585 ◽

2020 ◽

Vol 30 ◽

pp. 100585

Author(s):

A. Viji ◽

B. Revathi ◽

V. Balachandran ◽

S. Babiyana ◽

B. Narayana ◽

...

Keyword(s):

Antimicrobial Activity ◽

Molecular Docking ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Bioactive Molecule

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Structural Analysis, Molecular Docking and DFT Calculations of Bis(Pyrazolium Picrate) Monohydrate Interaction with Calf Thymus DNA and Microbes

ChemistrySelect ◽

10.1002/slct.201701484 ◽

2017 ◽

Vol 2 (29) ◽

pp. 9298-9311 ◽

Author(s):

Sundarrajan Balachandar ◽

Munusamy Dhandapani ◽

Israel Vijayan Muthu Vijayan Enoch ◽

Soundrapandian Suganthi

Keyword(s):

Molecular Docking ◽

Structural Analysis ◽

Dft Calculations ◽

Calf Thymus Dna ◽

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Structural analysis, spectroscopic characterization and molecular docking studies of the cyclic heptapeptide

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2017.1356240 ◽

2017 ◽

Vol 36 (9) ◽

pp. 2407-2423 ◽

Author(s):

Sefa Celik ◽

Serda Kecel-Gunduz ◽

Sevim Akyuz ◽

Aysen E. Ozel

Keyword(s):

Molecular Docking ◽

Structural Analysis ◽

Spectroscopic Characterization ◽

Docking Studies ◽

Molecular Docking Studies ◽

Cyclic Heptapeptide

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TPGS-mediated one-pot synthesis, XRD structural analysis, antimicrobial evaluation and molecular docking of novel heterocycles as potential inhibitors of p53-MDM2 protein

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.127252 ◽

2020 ◽

Vol 1202 ◽

pp. 127252 ◽

Author(s):

K. Anand ◽

Tricia Naicker ◽

Sooraj Baijnath ◽

Malose J. Mphahlele ◽

Naresh Kumar Katari ◽

...

Keyword(s):

Molecular Docking ◽

Structural Analysis ◽

One Pot ◽

Mdm2 Protein ◽

One Pot Synthesis ◽

Antimicrobial Evaluation ◽

Potential Inhibitors

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Molecular docking and structural analysis of non-opioid analgesic drug acemetacin with halogen substitution: A DFT approach

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.06.035 ◽

2016 ◽

Vol 1123 ◽

pp. 180-190 ◽

Author(s):

D.R. Leenaraj ◽

D. Manimaran ◽

I. Hubert Joe

Keyword(s):

Molecular Docking ◽

Structural Analysis ◽

Opioid Analgesic ◽

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Investigation of Pseudomonas aeruginosa quorum-sensing signaling system for identifying multiple inhibitors using molecular docking and structural analysis methodology

Microbial Pathogenesis ◽

10.1016/j.micpath.2015.08.017 ◽

2015 ◽

Vol 89 ◽

pp. 73-78 ◽

Author(s):

Vahid Soheili ◽

Bibi Sedigheh Fazly Bazzaz ◽

Nooshin Abdollahpour ◽

Farzin Hadizadeh

Keyword(s):

Pseudomonas Aeruginosa ◽

Molecular Docking ◽

Structural Analysis ◽

Quorum Sensing ◽

Signaling System ◽

Analysis Methodology

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Exploiting the potential of aryl acetamide derived Zn(ii) complexes in medicinal chemistry: synthesis, structural analysis, assessment of biological profile and molecular docking studies

New Journal of Chemistry ◽

10.1039/c5nj03531g ◽

2016 ◽

Vol 40 (8) ◽

pp. 7084-7094 ◽

Author(s):

Kishwar Sultana ◽

Sumera Zaib ◽

Najm ul Hassan Khan ◽

Imtiaz Khan ◽

Khadija Shahid ◽

...

Keyword(s):

Molecular Docking ◽

Structural Analysis ◽

Medicinal Chemistry ◽

Enzyme Inhibitors ◽

Docking Studies ◽

Biological Profile ◽

Molecular Docking Studies

This study reports an unprecedented series of aryl acetamide derived Zn(ii) complexes as frontline enzyme inhibitors as well as anticancer and anti-parasitic agents.

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STRUCTURAL ANALYSIS AND MOLECULAR DOCKING STUDIES OF THYMOGEN

Journal of Structural Chemistry ◽

10.1134/s0022476621110159 ◽

2021 ◽

Vol 62 (11) ◽

pp. 1783-1794

Author(s):

G. A. Akverdieva ◽

N. M. Godjayev ◽

S. D. Demukhamedova

Keyword(s):

Molecular Docking ◽

Structural Analysis ◽

Docking Studies ◽

Molecular Docking Studies

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