A survey on computational methods in discovering protein inhibitors of SARS-CoV-2

Q Liu, J Wan, G Wang - Briefings in Bioinformatics, 2022 - academic.oup.com
The outbreak of acute respiratory disease in 2019, namely Coronavirus Disease-2019
(COVID-19), has become an unprecedented healthcare crisis. To mitigate the pandemic …

[HTML][HTML] Artificial intelligence assisted pharmacophore design for philadelphia chromosome-positive leukemia with gamma-tocotrienol: A toxicity comparison approach …

M Naveed, N Ain, T Aziz, K Javed, MA Shabbir… - Biomedicines, 2023 - mdpi.com
BCR-ABL1 is a fusion protein as a result of a unique chromosomal translocation (producing
the so-called Philadelphia chromosome) that serves as a clinical biomarker primarily for …

[HTML][HTML] Anti-biofilm activity of caffeine against uropathogenic E. coli is mediated by curli biogenesis

B Rathi, S Gupta, P Kumar, V Kesarwani… - Scientific Reports, 2022 - nature.com
Biofilms are assemblages of sessile microorganisms that form an extracellular matrix around
themselves and mediate attachment to surfaces. The major component of the extracellular …

Systematic approach for enrichment of docking outcome using consensus scoring functions

KN Madhavilatha, GRM Babu - Journal of Physics: Conference …, 2019 - iopscience.iop.org
Traditional drug discovery is an expensive and time consuming process. Pharmaceutical
industry suffers from a huge attrition due to last stage failure in traditional drug discovery …

Propriedades farmacológicas da alicina (diallyl thiosulfinate), potencial aplicação em produtos biotecnológicos para suplementação alimentar animal.

JGB Soares - 2023 - repositorio.ufscar.br
RESUMO A Babesia Caballi e Theileria Equi são doenças conhecidas de parasitas do filo
apicomplexa e que compartilham estratégias de invasão de células de glóbulos vermelhos …

Molecular Property Predictors for Downstream de novo Generation

V Tekur - 2022 - search.proquest.com
The task of de novo molecular generation involves creating new molecular structures in
order to optimize a certain objective, and it is extremely useful in the context of drug …

In silico identification of novel chemical compounds with anti-TB potential for the inhibition of InhA and EthR from Mycobacterium tuberculosis

SK Halder, F Elma - bioRxiv, 2020 - biorxiv.org
Tuberculosis (TB) continuously pose a major public health concern around the globe, with a
mounting death toll of approximately 1.4 million in 2019. The reduced bioavailability …