Novel antiproliferative inhibitors from salicylamide derivatives with dipeptide moieties using 3D-QSAR, molecular docking, molecular dynamic simulation and ADMET …
E Soukaina, N Al-Zaqri, I Warad, H Ichou… - Journal of Molecular …, 2023 - Elsevier
Currently, most cancers cannot be cured permanently. Therefore, the search of new
anticancer drugs is an urgent unmet need. In order to solve this problem, we can use …
anticancer drugs is an urgent unmet need. In order to solve this problem, we can use …
Synthesis, anticancer activity, SAR and binding mode of interaction studies of substituted pentanoic acids: part II
Aim: Our previous results suggest that phenyl/naphthylacetyl pentanoic acid derivatives may
exhibit dual MMP-2 and HDAC8 inhibitory activities and show effective cytotoxic properties …
exhibit dual MMP-2 and HDAC8 inhibitory activities and show effective cytotoxic properties …
New natural Eugenol derivatives as antiproliferative agents: synthesis, biological evaluation, and computational studies
Semisynthetic modifications of natural products have bestowed us with many anticancer
drugs. In the present work, a natural product, eugenol, has been modified synthetically to …
drugs. In the present work, a natural product, eugenol, has been modified synthetically to …
In-silico activity prediction and docking studies of some flavonol derivatives as anti-prostate cancer agents based on Monte Carlo optimization
The QSAR models are employed to predict the anti-proliferative activity of 81 derivatives of
flavonol against prostate cancer using the Monte Carlo algorithm based on the index of …
flavonol against prostate cancer using the Monte Carlo algorithm based on the index of …
Synthesis, antiproliferative and cytotoxic activities, DNA binding features and molecular docking study of novel enamine derivatives
M Burcu Gürdere, A Aydin, B Yencilek… - Chemistry & …, 2020 - Wiley Online Library
Novel enamine derivatives were synthesized from the reaction of lactone and chalcones and
their antiproliferative and cytotoxic activities against six cancer cell lines (eg, HeLa, HT29 …
their antiproliferative and cytotoxic activities against six cancer cell lines (eg, HeLa, HT29 …
Synthesis of new derivatives of benzylidinemalononitrile and ethyl 2-cyano-3-phenylacrylate: in silico anticancer evaluation
In this study, microwave-assisted Knoevenagel condensation was used to produce two
novel series of derivatives (1–6) from benzylidenemalononitrile and ethyl 2-cyano-3 …
novel series of derivatives (1–6) from benzylidenemalononitrile and ethyl 2-cyano-3 …
Synthesis, crystal structure, DFT study, in vitro and in silico molecular docking of novel bis (aroyl selenourea) derivatives
M Musthafa, KN Aneesrahman, B Perumalsamy… - Journal of Molecular …, 2019 - Elsevier
A new family of o-phenylenediamine substituted bis (aroyl selenourea) 1–3 were
synthesised and characterised by spectroscopic methods and Single crystal XRD studies …
synthesised and characterised by spectroscopic methods and Single crystal XRD studies …
[HTML][HTML] Synthesis, structure combined with conformational analysis, biological activities and docking studies of bis benzylidene cyclohexanone derivatives
G Lotfy, MM Said, H El Sayed, H El Sayed… - Journal of Saudi …, 2017 - Elsevier
We report the synthesis and biological evaluation of bis benzylidne cyclohexanone
derivatives 2, 6-di (4-fluorobenzylidene) cyclohexanone 3a and (2E, 6E)‐2, 6‐bis ({[4 …
derivatives 2, 6-di (4-fluorobenzylidene) cyclohexanone 3a and (2E, 6E)‐2, 6‐bis ({[4 …
Pharmacophore, QSAR, and ADME based semisynthesis and in vitro evaluation of ursolic acid analogs for anticancer activity
In the present work, QSAR models for predicting the activities of ursolic acid analogs against
human lung (A-549) and CNS (SF-295) cancer cell lines were developed by a forward …
human lung (A-549) and CNS (SF-295) cancer cell lines were developed by a forward …
Dexibuprofen amide derivatives as potential anticancer agents: Synthesis, in silico docking, bioevaluation, and molecular dynamic simulation
Background The amide derivatives of nonsteroidal anti-inflammatory drugs have been
reported to possess antitumor activity. The present work describes the synthesis of …
reported to possess antitumor activity. The present work describes the synthesis of …