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 …
[HTML][HTML] Computer modeling of some anti-breast cancer compounds
The research was aimed at exploring the biological activities of novel series of β-lactam
derivatives against MCF-7 breast cancer cell lines via computer modeling such as …
derivatives against MCF-7 breast cancer cell lines via computer modeling such as …
3D-QSAR and docking studies on ursolic acid derivatives for anticancer activity based on bladder cell line T24 targeting NF-kB pathway inhibition
Bladder cancer is the common reason for mortality worldwide, and its increasing rate
announces as a significant area of research in drug designing. The side effects and toxicity …
announces as a significant area of research in drug designing. The side effects and toxicity …
[HTML][HTML] Design of potential anti-melanoma agents against SK-MEL-5 cell line using QSAR modeling and molecular docking methods
SK-MEL-5 is a human melanoma cell line that has been used in several researches to
explore new therapies against melanoma. Based on this study we report on the …
explore new therapies against melanoma. Based on this study we report on the …
Molecular modeling strategy to design novel anticancer agents against UACC-62 and UACC-257 melanoma cell lines
The resistance of melanoma cancer cells to the known treatments becomes a barrier to the
progress of chemotherapy which obliges the discovery of novel and potent drugs. In this …
progress of chemotherapy which obliges the discovery of novel and potent drugs. In this …
[HTML][HTML] 2D QSAR, design, docking study and ADMET of some N-aryl derivatives concerning inhibitory activity against Alzheimer disease
Background Alzheimer disease (AD) is an ailment that disturbs mainly people of old age.
The fundamental remedial way to deal with AD depends on the utilization of AChEI. The …
The fundamental remedial way to deal with AD depends on the utilization of AChEI. The …
[HTML][HTML] QSAR and molecular docking studies of pyrimidine-coumarin-triazole conjugates as prospective anti-breast cancer agents
AK Subramani, A Sivaperuman, R Natarajan… - Molecules, 2022 - mdpi.com
Cancer is a life-threatening disease and is the second leading cause of death worldwide.
Although many drugs are available for the treatment of cancer, survival outcomes are very …
Although many drugs are available for the treatment of cancer, survival outcomes are very …
3D-QSAR, molecular docking and ADMET studies of thioquinazolinone derivatives against breast cancer
Breast cancer is a deadly disease and the second largest cause of mortality on a worldwide
platform. Despite the availability of several cancer treatments, life expectancies stay …
platform. Despite the availability of several cancer treatments, life expectancies stay …
[HTML][HTML] QSAR modelling and molecular docking studies for anti-cancer compounds against melanoma cell line SK-MEL-2
A dataset of seventy-two (72) cytotoxic compounds of the National Cancer Institute (NCI)
was studied by QSAR and docking approaches to gain deeper insights into ligands …
was studied by QSAR and docking approaches to gain deeper insights into ligands …
[HTML][HTML] Chemo-informatics activity prediction, ligand based drug design, Molecular docking and pharmacokinetics studies of some series of 4, 6-diaryl-2 …
SH Abdullahi, A Uzairu, MT Ibrahim… - Bulletin of the National …, 2021 - Springer
Background The most well-known cause of cancer deaths identified in female is breast
cancer. Several drugs approved by the food and drug administration (FDA) for the treatment …
cancer. Several drugs approved by the food and drug administration (FDA) for the treatment …