[PDF][PDF] How RNA-binding proteins interact with RNA: molecules and mechanisms

M Corley, MC Burns, GW Yeo - Molecular cell, 2020 - cell.com
RNA-binding proteins (RBPs) comprise a large class of over 2,000 proteins that interact with
transcripts in all manner of RNA-driven processes. The structures and mechanisms that …

A supramolecular approach to structure-based design with a focus on synthons hierarchy in ornithine-derived ligands: Review, synthesis, experimental and in silico …

J Bojarska, M Remko, M Breza, ID Madura… - Molecules, 2020 - mdpi.com
The success of innovative drugs depends on an interdisciplinary and holistic approach to
their design and development. The supramolecular architecture of living systems is …

[PDF][PDF] Structural basis and kinetic pathway of RBM39 recruitment to DCAF15 by a sulfonamide molecular glue E7820

X Du, OA Volkov, RM Czerwinski, HL Tan, C Huerta… - Structure, 2019 - cell.com
E7820 and indisulam are two examples of aryl sulfonamides that recruit RBM39 to Rbx-Cul4-
DDA1-DDB1-DCAF15 E3 ligase complex, leading to its ubiquitination and degradation by …

π–π noncovalent interaction involving 1, 2, 4-and 1, 3, 4-oxadiazole systems: The combined experimental, theoretical, and database study

SV Baykov, AS Mikherdov, AS Novikov, KK Geyl… - Molecules, 2021 - mdpi.com
A series of N-pyridyl ureas bearing 1, 2, 4-(1a, 2a, and 3a) and 1, 3, 4-oxadiazole moiety
(1b, 2b, 3b) was prepared and characterized by HRMS, 1H and 13C NMR spectroscopy, as …

Development of effective therapeutic molecule from natural sources against coronavirus protease

AO Fadaka, NRS Sibuyi, DR Martin, A Klein… - International journal of …, 2021 - mdpi.com
The SARS-CoV-2 main protease (Mpro) is one of the molecular targets for drug design.
Effective vaccines have been identified as a long-term solution but the rate at which they are …

GUIDE: A GUI for automated quantum chemistry calculations

A Sarkar, L Sessa, F Marrafino… - Journal of Computational …, 2023 - Wiley Online Library
The accuracy of quantum mechanics (QM) simulations depends heavily on the quality of
initial input files. Despite the popularity of QM simulation packages, achieving precise results …

Modified coptisine derivatives as an inhibitor against pathogenic Rhizomucor miehei, Mycolicibacterium smegmatis (Black Fungus), Monkeypox, and Marburg virus …

S Akash, A Hossain, N Mukerjee… - Frontiers in …, 2023 - frontiersin.org
During the second phase of SARS-CoV-2, an unknown fungal infection, identified as black
fungus, was transmitted to numerous people among the hospitalized COVID-19 patients and …

Ssnet: A deep learning approach for protein-ligand interaction prediction

N Verma, X Qu, F Trozzi, M Elsaied, N Karki… - International journal of …, 2021 - mdpi.com
Computational prediction of Protein-Ligand Interaction (PLI) is an important step in the
modern drug discovery pipeline as it mitigates the cost, time, and resources required to …

In silico analyses of a promising drug candidate for the treatment of amyotrophic lateral sclerosis targeting superoxide dismutase I protein

GRC Pereira, BA Abrahim-Vieira, JF de Mesquita - Pharmaceutics, 2023 - mdpi.com
Amyotrophic lateral sclerosis (ALS) is the most prevalent motor neuron disorder in adults,
which is associated with a highly disabling condition. To date, ALS remains incurable, and …

Pentafuhalol-B, a Phlorotannin from Brown Algae, Strongly Inhibits the PLK-1 Overexpression in Cancer Cells as Revealed by Computational Analysis

WA Ansari, SO Rab, M Saquib, A Sarfraz, MK Hussain… - Molecules, 2023 - mdpi.com
Polo-like kinase-1 (PLK-1) is an essential mitotic serine/threonine (Ser/Thr) kinase that
belongs to the Polo-like kinase (PLK) family and is overexpressed in non-small cell lung …