Comparative molecular docking studies of phytochemicals as Jak2 inhibitors using Autodock and ArgusLab

AS Achutha, VL Pushpa, KB Manoj - Materials Today: Proceedings, 2021 - Elsevier
Cancer is one of the major threats that we face today due to the lack of a proper medicine
and its harmful side effects. JAK-STAT pathway has been reported to involve in …

Virtual screening approach of bacterial peptide deformylase inhibitors results in new antibiotics

A Merzoug, A Chikhi, A Bensegueni… - Molecular …, 2018 - Wiley Online Library
The increasing resistance of bacteria to antibacterial therapy poses an enormous health
problem, it renders the development of new antibacterial agents with novel mechanism of …

[PDF][PDF] Enzymatic production of 4-cholesten-3-one using cholesterol oxidase from Bacillus cereus strain KAVK5 and its potentiality toward the inhibition of disease …

K Vasanthakumar, A Kuppusamy - Journal of Applied …, 2022 - japsonline.com
The biological conversion of cholesterol into 4-cholesten-3-one (4-CHN), with the help of
commercially important cholesterol oxidase (CHO) originated in Bacillus cereus strain …

Exploiting the role of stereoelectronic effects to design the antagonists of the human complement C3a receptor

S Jindani, B Ganguly - New Journal of Chemistry, 2021 - pubs.rsc.org
Stereoelectronic effects are crucial in governing the conformational behaviour of small
molecules bearing heterocyclic rings adjacent to amides. It dictates the antagonist and …

Uji sitotoksik, toksisitas dan prediksi sifat fisikokimia senyawa isoliquiritigenin dan oxyresveratrol terhadap Reseptor B-cell lymphoma 2 (4AQ3) dan Vascular …

MF Hariz - 2019 - etheses.uin-malang.ac.id
INDONESIA: Isoliquiritigenin dan oxyresveratrol merupakan senyawa yang telah dilaporkan
memiliki aktivitas antikanker. Pertumbuhan sel kanker sering dikaitkan dengan overekspresi …

[PDF][PDF] Molecular Docking and Statistical Assessment of Macroalgae Halimeda Species against Marine Macro Fouler Mytilus galvoprovinces (4CN8)

R Prasanth, P Suresh Kumar - Int. J. Pharmaceut. Sci. Rev. Res, 2020 - researchgate.net
The purpose of this investigation was to study the inhibitory action of marine macro fouler by
macro algae using virtual screening studies in first time. Bioactive compounds from …

[PDF][PDF] Effective docking program for designing reactivator for treating organophosphorus inhibited AChE

S Ghosh, NB Chandar, R Lo, B Ganguly - JSM Chem, 2016 - academia.edu
Docking tools are computer-aided simulation process by which appropriate ligand
molecules (drugs) are screened for receptor molecules such as protein/enzyme. Molecular …

[PDF][PDF] Theoretical study of the interactions involved in the inhibition of Mycobacterium tuberculosis methionine aminopeptidase by several molecules

B Hanane, C Abdelouahab… - Computational Biology …, 2014 - academia.edu
With the development of computer tools in the past 20 years, molecular modeling and more
precisely molecular docking has quickly entered the area of biological research. Two …

[PDF][PDF] 3D Structural Analyses of Bifunctional Protein MdtA for Target Site Identification

MZ Ahmad - Journal of Pharmacy and Pharmacology, 2023 - davidpublisher.com
Bifunctional Protein MdtA catalyzes the dehydrogenation of methylene-H4MPT. MdtA also
catalyzes the reversible dehydrogenation of methylene-H4F with 20-fold lower catalytic …

Virtual screening for novel 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors: A shape-based search approach

P Tangyuenyongwatana… - Thai Journal of …, 2017 - tjps.pharm.chula.ac.th
A virtual screening study with ArgusLab 4.0. 1 was performed on 1-deoxy-D-xylulose-5-
phosphate reductoisomerase (DXR), the second enzyme in the methyl erythritol phosphate …