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 …
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 …
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 …
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 …
[HTML][HTML] The anticoagulant potential of Lippia Alba extract in inhibiting SARS-CoV-2 Mpro: Density functional calculation, molecular docking analysis, and molecular …
Lippia Alba, a plant commonly utilized in traditional folk medicine, particularly in Brazil, is
renowned for its essential oil possessing anti-inflammatory, antibacterial, anesthetic, and …
renowned for its essential oil possessing anti-inflammatory, antibacterial, anesthetic, and …
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 …
[HTML][HTML] Design of new α-glucosidase inhibitors through a combination of 3D-QSAR, ADMET screening, molecular docking, molecular dynamics simulations and …
Diabetes mellitus is a chronic and non-infectious metabolic disorder caused by insufficient
insulin secretion. This study investigated a set of thirty-one 4-amino-1, 2, 4-triazole …
insulin secretion. This study investigated a set of thirty-one 4-amino-1, 2, 4-triazole …
Surface enhanced Raman scattering investigation of tecovirimat on silver, gold and platinum loaded silica nanocomposites: Theoretical analysis (DFT) and molecular …
GF Nivetha, V Vetrivelan, M Govindammal, S Muthu… - Heliyon, 2023 - cell.com
As of today, there have been 612 million confirmed cases of coronavirus disease (COVID-
19) around the world, with over 6 million fatalities. Tecovirimat (TPOXX) is an anti-viral drug …
19) around the world, with over 6 million fatalities. Tecovirimat (TPOXX) is an anti-viral drug …