[1]
|
An in-silico pharmacophore-based molecular docking study to evaluate the inhibitory potentials of novel fungal triterpenoid Astrakurkurone analogues against a hypothetical mutated main protease of SARS-CoV-2 virus
Computers in Biology and Medicine,
2023
DOI:10.1016/j.compbiomed.2022.106433
|
|
|
[2]
|
Phyto-bacterial biosorption of basic fuchsine: A self-sustainable approach towards biomitigation of contaminant of emerging concern
Journal of Environmental Chemical Engineering,
2023
DOI:10.1016/j.jece.2023.109330
|
|
|
[3]
|
Solid-state Synthesis, electronic Structure Studies, Solvent Interaction through Hydrogen Bonding, and Molecular Docking Studies of 2,2’-((1,2-Phenylenebis(Azaneylylidene))Bis (Methaneylylidene))Diphenol from o-Phenylenediamine and Salicylaldehyde
Polycyclic Aromatic Compounds,
2023
DOI:10.1080/10406638.2023.2198723
|
|
|
[4]
|
Lupane derivatives: Design, isolation, synthesis and evaluation of antiplasmodial activity against Plasmodium falciparum 3D7 strain
Phytochemistry Letters,
2023
DOI:10.1016/j.phytol.2023.06.009
|
|
|
[5]
|
Lupane derivatives: Design, isolation, synthesis and evaluation of antiplasmodial activity against Plasmodium falciparum 3D7 strain
Phytochemistry Letters,
2023
DOI:10.1016/j.phytol.2023.06.009
|
|
|
[6]
|
Anti-melanoma potential of fucoxanthin by inhibition MC1R receptor: In Silico study
THE 5TH INTERNATIONAL CONFERENCE ON BIOSCIENCE AND BIOTECHNOLOGY,
2023
DOI:10.1063/5.0174957
|
|
|
[7]
|
Phyto-bacterial biosorption of basic fuchsine: A self-sustainable approach towards biomitigation of contaminant of emerging concern
Journal of Environmental Chemical Engineering,
2023
DOI:10.1016/j.jece.2023.109330
|
|
|
[8]
|
Economical, efficient, and environmentally friendly synthesis strategy of O-Alkylation strategy based on phenolphthalein reactions with electrophiles: Characterization, DFT study, and molecular docking
Journal of Molecular Structure,
2022
DOI:10.1016/j.molstruc.2022.133424
|
|
|
[9]
|
Highly selective thiazole-appended “switch off” fluorogenic sensor with a detection level of nM for Cu2+: DFT calculations and practically applications
Journal of Luminescence,
2022
DOI:10.1016/j.jlumin.2021.118561
|
|
|
[10]
|
Punica granatum pericarp extract catalyzed green chemistry approach for synthesizing novel ligand and its metal(II) complexes: Molecular docking/DNA interactions
Journal of Molecular Structure,
2022
DOI:10.1016/j.molstruc.2021.131656
|
|
|
[11]
|
Potent In Vitro Phosphodiesterase 1 Inhibition of Flavone Isolated from Pistacia integerrima Galls
BioMed Research International,
2022
DOI:10.1155/2022/6116003
|
|
|
[12]
|
Highly selective thiazole-appended “switch off” fluorogenic sensor with a detection level of nM for Cu2+: DFT calculations and practically applications
Journal of Luminescence,
2022
DOI:10.1016/j.jlumin.2021.118561
|
|
|
[13]
|
Molecular dynamics investigation of ivermectin bound to importin alpha/beta heterodimer
Molecular Simulation,
2022
DOI:10.1080/08927022.2021.2015066
|
|
|
[14]
|
IN SILICO STUDY OF BIOACTIVE COMPOUNDS FROM SUNGKAI (PERONEMA CANESCENS) AS IMMUNOMODULATOR
International Journal of Applied Pharmaceutics,
2022
DOI:10.22159/ijap.2022.v14s4.PP33
|
|
|
[15]
|
Economical, efficient, and environmentally friendly synthesis strategy of O-Alkylation strategy based on phenolphthalein reactions with electrophiles: Characterization, DFT study, and molecular docking
Journal of Molecular Structure,
2022
DOI:10.1016/j.molstruc.2022.133424
|
|
|
[16]
|
Punica granatum pericarp extract catalyzed green chemistry approach for synthesizing novel ligand and its metal(II) complexes: Molecular docking/DNA interactions
Journal of Molecular Structure,
2022
DOI:10.1016/j.molstruc.2021.131656
|
|
|
[17]
|
Synthesis, crystal growth, spectroscopic characterization, Hirshfeld surface analysis and DFT investigations of novel nonlinear optically active 4-benzoylpyridine-derived hydrazone
Journal of Molecular Structure,
2021
DOI:10.1016/j.molstruc.2021.130858
|
|
|
[18]
|
In silico structural analysis of truncated 2’ fluoro-RNA aptamer: Elucidating EGF-1 and EGF-2 binding domains on factor IX protein
Process Biochemistry,
2021
DOI:10.1016/j.procbio.2021.10.022
|
|
|
[19]
|
Cashew nutshell liquid catalyzed green chemistry approach for synthesis of a Schiff base and its divalent metal complexes: molecular docking and DNA reactivity
Nucleosides, Nucleotides & Nucleic Acids,
2021
DOI:10.1080/15257770.2020.1868502
|
|
|
[20]
|
Synthesis, characterization and molecular docking studies of new indol(1H-3-yl)pyrimidine derivatives: Insights into their role in DNA interaction
Nucleosides, Nucleotides & Nucleic Acids,
2021
DOI:10.1080/15257770.2021.1922700
|
|
|
[21]
|
Molecular Mechanism of Small-Molecule Inhibitors in Blocking the PD-1/PD-L1 Pathway through PD-L1 Dimerization
International Journal of Molecular Sciences,
2021
DOI:10.3390/ijms22094766
|
|
|
[22]
|
Synthesis, crystal growth, spectroscopic characterization, Hirshfeld surface analysis and DFT investigations of novel nonlinear optically active 4-benzoylpyridine-derived hydrazone
Journal of Molecular Structure,
2021
DOI:10.1016/j.molstruc.2021.130858
|
|
|
[23]
|
In silico structural analysis of truncated 2’ fluoro-RNA aptamer: Elucidating EGF-1 and EGF-2 binding domains on factor IX protein
Process Biochemistry,
2021
DOI:10.1016/j.procbio.2021.10.022
|
|
|
[24]
|
Synthesis, characterization and molecular docking studies of new indol(1H-3-yl)pyrimidine derivatives: Insights into their role in DNA interaction
Nucleosides, Nucleotides & Nucleic Acids,
2021
DOI:10.1080/15257770.2021.1922700
|
|
|
[25]
|
In silico structural analysis of truncated 2’ fluoro-RNA aptamer: Elucidating EGF-1 and EGF-2 binding domains on factor IX protein
Process Biochemistry,
2021
DOI:10.1016/j.procbio.2021.10.022
|
|
|
[26]
|
New 1,3,4-thiadiazol derivatives: Synthesis, computational study and X-Ray
Journal of Molecular Structure,
2020
DOI:10.1016/j.molstruc.2020.127733
|
|
|
[27]
|
Molecular dynamics simulations of the interactions between triose phosphate isomerase and sulfonamides
PeerJ Physical Chemistry,
2020
DOI:10.7717/peerj-pchem.13
|
|
|
[28]
|
CDK2 and Bcl-xL inhibitory mechanisms by docking simulations and anti-tumor activity from piperine enriched supercritical extract
Food and Chemical Toxicology,
2019
DOI:10.1016/j.fct.2019.110644
|
|
|
[29]
|
Identification of Ixodid Tick-Specific Aquaporin-1 Potential Anti-tick Vaccine Epitopes: An in-silico Analysis
Frontiers in Bioengineering and Biotechnology,
2019
DOI:10.3389/fbioe.2019.00236
|
|
|
[30]
|
Dual inhibitors of urease and carbonic anhydrase-II from Iris species
Pure and Applied Chemistry,
2019
DOI:10.1515/pac-2019-0407
|
|
|
[31]
|
Soft-template synthesis of high surface area mesoporous titanium dioxide for dye-sensitized solar cells
International Journal of Energy Research,
2018
DOI:10.1002/er.4288
|
|
|