AlphaFold, allosteric, and orthosteric drug discovery: Ways forward

R Nussinov, M Zhang, Y Liu, H Jang - Drug discovery today, 2023 - Elsevier
Highlights•AlphaFold models have rigid protein structures.•Advanced deep algorithms fed
relevant data can accurately predict structures.•Algorithmic advances can harness …

Vaccine development using artificial intelligence and machine learning: A review

VS Asediya, PA Anjaria, RA Mathakiya… - International Journal of …, 2024 - Elsevier
The COVID-19 pandemic has underscored the critical importance of effective vaccines, yet
their development is a challenging and demanding process. It requires identifying antigens …

Highly efficient neutralizer-free l-malic acid production using engineered Saccharomyces cerevisiae

L Sun, Q Zhang, X Kong, Y Liu, J Li, G Du, X Lv… - Bioresource …, 2023 - Elsevier
In industrial bioproduction of organic acids, numerous neutralizers are required which
substantially increases production costs and burdens the environment. To address this …

Mps1–Targeted Molecular Design of Melatonin for Broad-Spectrum Antifungal Agent Discovery

H Cai, J Li, L Ran, Y Chen, H Teng - Journal of Agricultural and …, 2024 - ACS Publications
Melatonin, a multifunctional class of natural products, has demonstrated antifungal activity,
making it a promising candidate for developing antifungal agents. The mitogen-activated …

Hotspots and mechanisms of action of the thermostable framework of a microbial thermolipase

Y Fang, F Liu, Y Shi, T Yang, C Liang, Y Xin… - ACS Synthetic …, 2022 - ACS Publications
The lipase TrLipB from Thermomicrobium roseum is highly thermostable. However, its
thermostable skeleton and mechanism of action should be investigated for industrial …

Next generation of multispecific antibody engineering

D Keri, M Walker, I Singh, K Nishikawa… - Antibody …, 2024 - academic.oup.com
Multispecific antibodies recognize two or more epitopes located on the same or distinct
targets. This added capability through protein design allows these man-made molecules to …

Rational modification of melatonin for broad‐spectrum antifungal agents discovery

H Cai, R Li, Y Chen, R Bi, X Fang, P Wu… - Journal of Pineal …, 2024 - Wiley Online Library
Natural products, known for their environmental safety, are regarded as a significant basis
for the modification and advancement of fungicides. Melatonin, as a low‐cost natural indole …

Artificial Intelligence-based database for prediction of protein structure and their alterations in ocular diseases

LP Cen, TK Ng, J Ji, JW Lin, Y Yao, R Yang, G Dong… - Database, 2023 - academic.oup.com
The aim of the study is to establish an online database for predicting protein structures
altered in ocular diseases by Alphafold2 and RoseTTAFold algorithms. Totally, 726 genes of …

Engineering chitin deacetylase ascda for improving the catalytic efficiency towards crystalline chitin

G Yang, Z Hu, Y Wang, H Mo, S Liu, X Hou, X Wu… - Carbohydrate …, 2023 - Elsevier
Chitin deacetylase (CDA) catalyzing the deacetylation of crystal chitin is a crucial step in the
biosynthesis of chitosan, and also a scientific problem to be solved, which restricts the high …

Insights into mechanisms of MALT1 allostery from NMR and AlphaFold dynamic analyses

J Wallerstein, X Han, M Levkovets, D Lesovoy… - Communications …, 2024 - nature.com
Mucosa-associated lymphoid tissue lymphoma-translocation protein 1 (MALT1) is an
attractive target for the development of modulatory compounds in the treatment of lymphoma …