Molecular docking: challenges, advances and its use in drug discovery perspective

S Saikia, M Bordoloi - Current drug targets, 2019 - ingentaconnect.com
Molecular docking is a process through which small molecules are docked into the
macromolecular structures for scoring its complementary values at the binding sites. It is a …

An updated review on marine anticancer compounds: The use of virtual screening for the discovery of small-molecule cancer drugs

V Ruiz-Torres, JA Encinar, M Herranz-Lopez… - Molecules, 2017 - mdpi.com
Marine secondary metabolites are a promising source of unexploited drugs that have a wide
structural diversity and have shown a variety of biological activities. These compounds are …

[HTML][HTML] Computer-aided drug design in anti-cancer drug discovery: what have we learnt and what is the way forward??

I Opeyemi, O Paul, F Olawale, B Olorunfemi… - Informatics in Medicine …, 2023 - Elsevier
The escalating prevalence of cancer on a global scale, coupled with the inadequacies of
present-day therapies and the emergence of drug-resistant cancer strains, has necessitated …

In silico prediction of steroids and triterpenoids as potential regulators of lipid metabolism

VM Dembitsky - Marine Drugs, 2021 - mdpi.com
This review focuses on a rare group of steroids and triterpenoids that share common
properties as regulators of lipid metabolism. This group of compounds is divided by the type …

Chemistry and the potential antiviral, anticancer, and anti-inflammatory activities of cardiotonic steroids derived from toads

HR El-Seedi, N Yosri, B El-Aarag, SH Mahmoud… - Molecules, 2022 - mdpi.com
Cardiotonic steroids (CTS) were first documented by ancient Egyptians more than 3000
years ago. Cardiotonic steroids are a group of steroid hormones that circulate in the blood of …

Bioactive steroids bearing oxirane ring

VM Dembitsky - Biomedicines, 2023 - mdpi.com
This review explores the biological activity and structural diversity of steroids and related
isoprenoid lipids, with a particular focus on compounds containing an oxirane ring. These …

Efficient Ru-Catalyzed Electrochemical Homo- and Heterocoupling Reaction of Terminal Alkynes: Synthesis, In Vitro Anticancer Activity, and Docking Study

KJ Tamuli, B Narzary, S Saikia, M Bordoloi - ACS omega, 2023 - ACS Publications
With the objective to identify novel anticancer leads, herein ruthenium-catalyzed
electrochemical homo-and heterocoupling reactions of terminal alkynes have been …

Highly oxygenated isoprenoid lipids derived from fungi and fungal endophytes: Origin and biological activities

N Savidov, TA Gloriozova, VV Poroikov, VM Dembitsky - Steroids, 2018 - Elsevier
This mini review is devoted to highly oxygenated isoprenoid lipids (HOIL) that are produced
by fungi and fungal endophytes from various ecological niches, both terrestrial and aquatic …

Ion mobility mass spectrometry of saponin ions

C Decroo, E Colson, V Lemaur… - Rapid …, 2019 - Wiley Online Library
Results: We demonstrate that ion mobility can contribute to the structural characterization of
saponins because different saponin ions present significantly distinct CCSs. Depending on …

Anticancer activity of novel steroidal 6-substituted 4-en-3-one D-seco dinitriles

AR Nikolić, IZ Kuzminac, SS Jovanović-Šanta… - Steroids, 2018 - Elsevier
Abstract Steroidal 16, 17-seco-16, 17a-dinitriles possessing 4-ene-3, 6-dione (3), 6-
methylene-4-en-3-one (5),(6E)-hydroxyimino-4-en-3β-ol (9) or (6E)-hydroxyimino-4-en-3 …