Multiple QSAR and molecular modelling for identification of potent human adenovirus inhibitors
SN Mali, A Pandey - Journal of the Indian Chemical Society, 2021 - Elsevier
This study has investigated docking-based 2D-and 3D-quantitative structure-activity
relationships (QSARs) for a range of 53 hydroxybenzamide analogues as anti-Human …
relationships (QSARs) for a range of 53 hydroxybenzamide analogues as anti-Human …
Efficient synthesis, crystallography study, antibacterial/antifungal activities, DFT/ADMET studies and molecular docking of novel α-aminophosphonates
An efficient method for the synthesis of a new series of α-aminophosphonates has been
developed in a one-pot Kabachnik-Fields reaction of 4-methylaminophenol with various …
developed in a one-pot Kabachnik-Fields reaction of 4-methylaminophenol with various …
Multiple e-pharmacophore modeling, 3D-QSAR, and high-throughput virtual screening of hepatitis C virus NS5B polymerase inhibitors
PJ Therese, D Manvar, S Kondepudi… - Journal of chemical …, 2014 - ACS Publications
The hepatitis C virus (HCV) NS5B RNA-dependent RNA polymerase (RdRP) is a crucial and
unique component of the HCV RNA replication machinery and a validated target for drug …
unique component of the HCV RNA replication machinery and a validated target for drug …
Design of dual inhibitors of ROCK-I and NOX2 as potential leads for the treatment of neuroinflammation associated with various neurological diseases including …
R Alokam, S Singhal, GS Srivathsav, S Garigipati… - Molecular …, 2015 - pubs.rsc.org
Inhibition of both Rho kinase (ROCK-I) and NADPH oxidase (NOX2) to treat
neuroinflammation could be very effective in the treatment of progressive neurological …
neuroinflammation could be very effective in the treatment of progressive neurological …
[HTML][HTML] ADME/toxicity prediction and antitumor activity of novel nitrogenous heterocyclic compounds designed by computer targeting of alkylglycerone phosphate …
Y Zhu, Y Han, Y Ma, P Yang - Oncology letters, 2018 - spandidos-publications.com
Alkylglycerone phosphate synthase (AGPS) is an oncogene and can be considered as an
antitumor drug target. The aim of the present study was to design novel nitrogenous …
antitumor drug target. The aim of the present study was to design novel nitrogenous …
Design of Novel Mycobacterium tuberculosis Pantothenate Synthetase Inhibitors: Virtual Screening, Synthesis and In Vitro Biological Activities
Pantothenate synthetase (PS) enzyme involved in the pantothenate biosynthetic pathway is
essential for the virulence and persistent growth of Mycobacterium tuberculosis (MTB). It is …
essential for the virulence and persistent growth of Mycobacterium tuberculosis (MTB). It is …
[HTML][HTML] Computer‑aided design of temozolomide derivatives based on alkylglycerone phosphate synthase structure with isothiocyanate and their pharmacokinetic …
B Yang, X Li, L He, Y Zhu - Biomedical Reports, 2018 - spandidos-publications.com
Despite the development of temozolomide (TMZ), a novel type of glioma therapeutic drug,
malignant glioma remains to cause severe damage to human health. The present study …
malignant glioma remains to cause severe damage to human health. The present study …
The investigation of structure–activity relationship of polyamine-targeted synthetic compounds from different chemical groups
SP Syatkin, EV Neborak, AI Khlebnikov, MV Komarova… - Amino Acids, 2020 - Springer
The polyamine (PA) metabolism is involved in cell proliferation and differentiation. Increased
cellular PA levels are observed in different types of cancers. Products of PA oxidation induce …
cellular PA levels are observed in different types of cancers. Products of PA oxidation induce …
Prognostische Parameter bei Palliativpatienten: Cathepsin S, Infektparameter, Cystatin C, LDH, Cholesterin, Karnofsky Index
K Kriner - 2019 - edoc.ub.uni-muenchen.de
Die Einschätzung der Prognose eines Palliativpatienten durch erfahrenes Fachpersonal ist
oft ungenau, weil zu optimistisch prognostiziert wird. Es gibt bereits eine Reihe von …
oft ungenau, weil zu optimistisch prognostiziert wird. Es gibt bereits eine Reihe von …
[PDF][PDF] Theoretical designing of acetylcholine esterase (ache) inhibitors
In this manuscript, we have presented the results of binding efficacy of a range of chemical
compounds that were generated from a modeled pharmacophore based upon structure …
compounds that were generated from a modeled pharmacophore based upon structure …