Cyclohexane-1, 3-dione derivatives as future therapeutic agents for NSCLC: QSAR modeling, in silico ADME-Tox properties, and structure-based drug designing …
The abnormal expression of the c-Met tyrosine kinase has been linked to the proliferation of
several human cancer cell lines, including non-small-cell lung cancer (NSCLC). In this …
several human cancer cell lines, including non-small-cell lung cancer (NSCLC). In this …
Research in the field of drug design and development
G Biala, E Kedzierska, M Kruk-Slomka… - Pharmaceuticals, 2023 - mdpi.com
The processes used by academic and industrial scientists to discover new drugs have
recently experienced a true renaissance, with many new and exciting techniques being …
recently experienced a true renaissance, with many new and exciting techniques being …
A computational study of Di-substituted 1, 2, 3-triazole derivatives as potential drug candidates against Mycobacterium tuberculosis: 3D-QSAR, molecular docking …
Multidrug-resistant TB (MDR TB) strains have become a severe issue, motivating
researchers to find new TB drugs effective against these MDR strains. In this work, 3D-QSAR …
researchers to find new TB drugs effective against these MDR strains. In this work, 3D-QSAR …
Structure‐based Virtual Screening, ADMET analysis, and molecular dynamics simulation of Moroccan natural compounds as candidates α‐amylase inhibitors
Current treatments for diabetes mellitus are ineffective, as evidenced by the rise in diabetes
cases. This has forced researchers to develop novel chemicals as drugs to block the …
cases. This has forced researchers to develop novel chemicals as drugs to block the …
Identification of new dihydrophenanthrene derivatives as promising anti-SARS-CoV-2 drugs through in silico investigations
To research, evaluate, and invent novel compounds that inhibit SARS-CoV-2 activity, a
series of reported 39 substituted 9, 10-dihydrophenanthrene derivatives were subjected to a …
series of reported 39 substituted 9, 10-dihydrophenanthrene derivatives were subjected to a …
2-Amino Thiazole Derivatives as Prospective Aurora Kinase Inhibitors against Breast Cancer: QSAR, ADMET Prediction, Molecular Docking, and Molecular Dynamic …
S Bathula, M Sankaranarayanan, B Malgija… - ACS …, 2023 - ACS Publications
The aurora kinase is a key enzyme that is implicated in tumor growth. Research revealed
that small molecules that target aurora kinase have beneficial effects as anticancer agents …
that small molecules that target aurora kinase have beneficial effects as anticancer agents …
Computational study of quinoline-based thiadiazole compounds as potential antileishmanial inhibitors
Leishmaniasis is a severe disease caused by protozoan parasites of the genus Leishmania
and it is accountable for sizable morbidity and mortality worldwide. So far, no effective …
and it is accountable for sizable morbidity and mortality worldwide. So far, no effective …
Efficient synthesis and molecular docking analysis of quinazoline and azole hybrid derivatives as promising agents for anti-cancer and anti-tuberculosis activities
Molecular docking is a computational method based on bioinformatics that simulates the
interaction dynamics of molecules such as ligands and receptors, predicting their binding …
interaction dynamics of molecules such as ligands and receptors, predicting their binding …
Genotoxic effects and mitosis aberrations of chromium (VI) on root cells of Vicia faba and its molecular docking analysis
Like other heavy metals, Cr (VI) is a powerful carcinogen and mutagen agent. Its toxic effects
on plants are well considered. In order to elucidate its adverse effects, the present work aims …
on plants are well considered. In order to elucidate its adverse effects, the present work aims …
Repurposing of chemotherapeutics to combat COVID-19
S Nandi, BS Nayak, MK Khede… - Current Topics in …, 2022 - ingentaconnect.com
Severe acute respiratory syndrome corona virus 2 (SARS-CoV-2) is a novel strain of SARS
coronavirus. The COVID-19 disease caused by this virus was declared a pandemic by the …
coronavirus. The COVID-19 disease caused by this virus was declared a pandemic by the …