Diverse models of cavity engineering in enzyme modification: Creation, filling, and resha**
Z Zhang, Y Cai, N Zheng, Y Deng, L Gao, Q Wang… - Biotechnology …, 2024 - Elsevier
Most enzyme modification strategies focus on designing the active sites or their surrounding
structures. Interestingly, a large portion of the enzymes (60%) feature active sites located …
structures. Interestingly, a large portion of the enzymes (60%) feature active sites located …
Harnessing regulatory networks in Actinobacteria for natural product discovery
HE Augustijn, AM Roseboom… - Journal of Industrial …, 2024 - academic.oup.com
Microbes typically live in complex habitats, where they need to rapidly adapt to continuously
changing growth conditions. To do so, they produce an astonishing array of natural products …
changing growth conditions. To do so, they produce an astonishing array of natural products …
[HTML][HTML] Quantum computational, spectroscopic, ADMET, molecular docking and dynamics simulation revealing the inhibition of psoralidin against anti-tuberculosis
N Mani, D Nicksonsebastin, M Prasath - Chemical Physics Impact, 2023 - Elsevier
A linear, three-ring phenolic compound containing a free radical reported pharmacological
effects against the anti-tuberculosis (TB) disease. In our study, psoralidin, or 3, 9-dihydroxy-2 …
effects against the anti-tuberculosis (TB) disease. In our study, psoralidin, or 3, 9-dihydroxy-2 …
Genetic and in-silico approaches for investigating the mechanisms of ciprofloxacin resistance in Salmonella typhi: Mutations, extrusion, and antimicrobial resistance
Salmonella enterica serovar Typhi spreads typhoid infection in humans through the
consumption of contaminated food and water. Poor sanitation plays a pivotal role in its …
consumption of contaminated food and water. Poor sanitation plays a pivotal role in its …
In silico design of peptide inhibitors for Dengue virus to treat Dengue virus-associated infections
Dengue virus is a single positive-strand RNA virus that is composed of three structural
proteins including capsid, envelope, and precursor membrane while seven non-structural …
proteins including capsid, envelope, and precursor membrane while seven non-structural …
[HTML][HTML] Identification of Homeobox Transcription Factors in a Dimorphic Fungus Talaromyces marneffei and Protein-Protein Interaction Prediction of RfeB
Talaromyces marneffei is a thermally dimorphic fungus that can cause life-threatening
systemic mycoses, particularly in immunocompromised individuals. Fungal homeobox …
systemic mycoses, particularly in immunocompromised individuals. Fungal homeobox …
Computational Exploration of Potential Pharmacological Inhibitors Targeting the Envelope Protein of the Kyasanur Forest Disease Virus
The limitations of the current vaccination strategy for the Kyasanur Forest Disease virus
(KFDV) underscore the critical need for effective antiviral treatments, highlighting the crucial …
(KFDV) underscore the critical need for effective antiviral treatments, highlighting the crucial …
Bioactive metabolites of Brazilian Red Propolis: Cytotoxic, antimalarial, and antimicrobial properties
Abstract Brazilian Red Propolis (BRP) is a natural product known for its rich chemical
composition and therapeutic potential. This study investigates the phytochemical profile and …
composition and therapeutic potential. This study investigates the phytochemical profile and …
Computational exploration of compounds in Xylocarpus granatum as a potential inhibitor of Plasmodium berghei using docking, molecular dynamics, and DFT studies
Malaria remains a global health concern, with the emergence of resistance to the
antimalarial drug atovaquone through cytochrome b (cyt b) being well-documented. This …
antimalarial drug atovaquone through cytochrome b (cyt b) being well-documented. This …
[HTML][HTML] Acute oral toxicity and antimalarial studies of 7-[(7-methoxy-4, 5-dihydro-1H-benzo [g] indazol-3-yl) carbonyl]-2-phenyl-5, 6, 7, 8-tetrahydropyrazolo [1, 5-a] …
Reports of resistance to current antimalarial combination therapies (ACTs) have
necessitated the discovery of new antimalarial drugs, most importantly with new …
necessitated the discovery of new antimalarial drugs, most importantly with new …