Bioactive pyrrole-based compounds with target selectivity

GL Petri, V Spano, R Spatola, R Holl… - European journal of …, 2020 - Elsevier
The discovery of novel synthetic compounds with drug-like properties is an ongoing
challenge in medicinal chemistry. Natural products have inspired the synthesis of …

Merging ligand-based and structure-based methods in drug discovery: An overview of combined virtual screening approaches

J Vázquez, M López, E Gibert, E Herrero, FJ Luque - Molecules, 2020 - mdpi.com
Virtual screening (VS) is an outstanding cornerstone in the drug discovery pipeline. A variety
of computational approaches, which are generally classified as ligand-based (LB) and …

[HTML][HTML] Lycorine, a non-nucleoside RNA dependent RNA polymerase inhibitor, as potential treatment for emerging coronavirus infections

YH Jin, JS Min, S Jeon, J Lee, S Kim, T Park, D Park… - Phytomedicine, 2021 - Elsevier
Background: Highly effective novel treatments need to be developed to suppress emerging
coronavirus (CoV) infections such as COVID-19. The RNA dependent RNA polymerase …

Inside perspective of the synthetic and computational toolbox of JAK inhibitors: Recent updates

A Coricello, F Mesiti, A Lupia, A Maruca, S Alcaro - Molecules, 2020 - mdpi.com
The mechanisms of inflammation and cancer are intertwined by complex networks of
signaling pathways. Dysregulations in the Janus kinase/signal transducer and activator of …

Chromenone derivatives as a versatile scaffold with dual mode of inhibition of HIV-1 reverse transcriptase-associated Ribonuclease H function and integrase activity

F Esposito, FA Ambrosio, R Maleddu, G Costa… - European Journal of …, 2019 - Elsevier
A number of compounds targeting different processes of the Human Immunodeficiency Virus
type 1 (HIV-1) life cycle have been developed in the continuing fight against AIDS. Coumarin …

Medicinal Chemistry Perspectives on the Development of Piperazine-Containing HIV-1 Inhibitors

CA Salubi, HS Abbo, N Jahed, S Titinchi - Bioorganic & Medicinal …, 2024 - Elsevier
The Human immunodeficiency virus (HIV) is the causative agent of acquired
immunodeficiency syndrome (AIDS), one of the most perilous diseases known to …

A drug repurposing screening reveals a novel epigenetic activity of hydroxychloroquine

R Catalano, R Rocca, G Juli, G Costa, A Maruca… - European Journal of …, 2019 - Elsevier
Multiple myeloma (MM) is an incurable hematological malignancy driven by several genetic
and epigenetic alterations. The hyperactivation of the Polycomb repressive complex 2 …

1,2,4-Triazolo[1,5-a]pyrimidines as a Novel Class of Inhibitors of the HIV-1 Reverse Transcriptase-Associated Ribonuclease H Activity

J Desantis, S Massari, A Corona, A Astolfi, S Sabatini… - Molecules, 2020 - mdpi.com
Despite great efforts have been made in the prevention and therapy of human
immunodeficiency virus (HIV-1) infection, however the difficulty to eradicate latent viral …

Discovery of dihydroxyindole-2-carboxylic acid derivatives as dual allosteric HIV-1 Integrase and Reverse Transcriptase associated Ribonuclease H inhibitors

F Esposito, M Sechi, N Pala, A Sanna, PC Koneru… - Antiviral Research, 2020 - Elsevier
Abstract The management of Human Immunodeficiency Virus type 1 (HIV-1) infection
requires life-long treatment that is associated with chronic toxicity and possible selection of …

In silico repositioning of cannabigerol as a novel inhibitor of the enoyl acyl carrier protein (ACP) reductase (INHA)

L Pinzi, C Lherbet, M Baltas, F Pellati, G Rastelli - Molecules, 2019 - mdpi.com
Cannabigerol (CBG) and cannabichromene (CBC) are non-psychoactive cannabinoids that
have raised increasing interest in recent years. These compounds exhibit good tolerability …