Machine Learning-Assisted Computational Screening of Adhesive Molecules Derived from Dihydroxyphenyl Alanine

Machine Learning-Assisted Computational Screening of Adhesive Molecules Derived from Dihydroxyphenyl Alanine

Bibliographic Details
Main Authors:	Srimai Vuppala, Ramesh Kumar Chitumalla, Seyong Choi, Taeho Kim, Hwangseo Park, Joonkyung Jang
Format:	Article
Language:	English
Published:	American Chemical Society 2023-12-01
Series:	ACS Omega
Online Access:	https://doi.org/10.1021/acsomega.3c07208

Similar Items

A Combination of Pharmacophore-Based Virtual Screening, Structure-Based Lead Optimization, and DFT Study for the Identification of <i>S. epidermidis</i> TcaR Inhibitors
by: Srimai Vuppala, et al.
Published: (2022-05-01)

Computer simulation approach to the identification of visfatin-derived angiogenic peptides.
by: Ji Myung Choi, et al.
Published: (2023-01-01)

Molecular Simulation Study on the Wettability of a Surface Texturized with Hierarchical Pillars
by: Kiduk Kim, et al.
Published: (2023-06-01)

Structure-Based Virtual Screening and De Novo Design to Identify Submicromolar Inhibitors of G2019S Mutant of Leucine-Rich Repeat Kinase 2
by: Hwangseo Park, et al.
Published: (2022-10-01)

Derivation of Highly Predictive 3D-QSAR Models for hERG Channel Blockers Based on the Quantum Artificial Neural Network Algorithm
by: Taeho Kim, et al.
Published: (2023-10-01)

New 2-(2,4-Dihydroxyphenyl)benzimidazolines
by: Yordan Stremski, et al.
Published: (2023-03-01)

The preparation of the derivatives of β-alanine
by: Emmett, Arthur Fred.
Published: (2023)

Correction: Thermodynamics of Aryl-Dihydroxyphenyl-Thiadiazole Binding to Human Hsp90
Published: (2012-01-01)

Depolymerized Chitosan-g-[Poly(MMA-co-HEMA-cl-EGDMA)] Based Nanogels for Controlled Local Release of Bupivacaine
by: Sivagangi Reddy Nagella, et al.
Published: (2023-11-01)

Synthesis 3,4-dimethoxybenzyl-2,4-dihydroxyphenyl ketone from Eugenol
by: Matsjeh, Sabirin, et al.
Published: (2009)

Cloning and expression heterologous alanine dehydrogenase genes: Investigation of reductive amination potential of L-alanine dehydrogenases for green synthesis of alanine derivatives
by: Ğarip Demir, et al.
Published: (2024-03-01)

Quantum Artificial Neural Network Approach to Derive a Highly Predictive 3D-QSAR Model for Blood–Brain Barrier Passage
by: Taeho Kim, et al.
Published: (2021-10-01)

Dihydroxyphenyl- and Heteroaromatic-Based Thienopyrimidinones to Tackle HIV-1 LEDGF/p75-Dependent IN Activity
by: Graziella Tocco, et al.
Published: (2023-09-01)

Adhesion molecules /
by: Preedy, Victor R.
Published: (c201)

Structure-Based Virtual Screening and De Novo Design of PIM1 Inhibitors with Anticancer Activity from Natural Products
by: Hwangseo Park, et al.
Published: (2021-03-01)

β-Cyclodextrin Inhibits Monocytic Adhesion to Endothelial Cells through Nitric Oxide-Mediated Depletion of Cell Adhesion Molecules
by: Sujeong Jang, et al.
Published: (2020-08-01)

The Effect of Elevated Alanine Transaminase on Non-invasive Prenatal Screening Failures
by: Ping Chen, et al.
Published: (2022-06-01)

Establishment of transgenic fluorescent mice for labeling synapses and screening synaptogenic adhesion molecules
by: Lei Yang, et al.
Published: (2024-03-01)

Crystal structure of (E)-3-(3,4-dihydroxyphenyl)- N-methylacrylamide, C10H11NO3
by: Wang Li, et al.
Published: (2011-06-01)

Crystal structure of (2,5-dihydroxyphenyl)-(4-methoxyphenyl)methanone, C14H12O4
by: Benites Julio, et al.
Published: (2016-03-01)

Intercellular Adhesion Molecule 1: More than a Leukocyte Adhesion Molecule
by: Cameron D. Haydinger, et al.
Published: (2023-05-01)

Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium chloride 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate: a new polymorph of l-dopa HCl and isotypic with its bromide counterpart
by: Perumal Kathiravan, et al.
Published: (2016-11-01)

Theoretical and Experimental Studies of Hydrogen Bonded Dihydroxybenzene Isomers Polyurethane Adhesive Material
by: Joyanta K. Saha, et al.
Published: (2022-04-01)

Enantiospecific alkylations of alanine
by: Alonso, F, et al.
Published: (1998)

Immunohistochemical Analysis of Adhesion Molecules E-Selectin, Intercellular Adhesion Molecule-1, and Vascular Cell Adhesion Molecule-1 in Inflammatory Lesions of Atopic Dermatitis
by: Sandra Marinović Kulišić, et al.
Published: (2023-04-01)

Adhesion molecules : function and inhibition /
by: Ley, Klaus, 1957-
Published: (2007)

Label-free affinity screening, design and synthesis of inhibitors targeting the Mycobacterium tuberculosis L-alanine dehydrogenase.
by: Heung-Bok Kim, et al.
Published: (2022-01-01)

Metabolic syndrome and alanine aminotransferase: a global perspective from the NAVIGATOR screening population.
by: Bethel, M, et al.
Published: (2009)

Alanine dehydrogenases from four different microorganisms: characterization and their application in L-alanine production
by: Pengfei Gu, et al.
Published: (2023-08-01)

Cytotoxic Activity of 1-(2,5-dihydroxyphenyl)-3-pyridine-2-yl-propenone on Colon Cancer Cell WiDr
by: Nur Ismiyati, et al.
Published: (2015-03-01)

Lignin-derived carbon nanosheets boost electrochemical reductive amination of pyruvate to alanine
by: Shunhan Jia, et al.
Published: (2023-10-01)

INFLUENCE OF SOLUBLE PLACENTAL TISSUE-DERIVED MOLECULES UPON EXPRESSION OF ADHESION MOLECULES BY EA.HY926 ENDOTHELIAL CELLS
by: O. I. Stepanova, et al.
Published: (2014-07-01)

Advances in the synthesis of β-alanine
by: Peng Song, et al.
Published: (2023-10-01)

Genetically Predicted Circulating Concentrations of Alanine and Alanine Aminotransferase Were Associated with Prostate Cancer Risk
by: Yang S, et al.
Published: (2022-10-01)

The molecular structure of cell adhesion molecules.
by: Chothia, C, et al.
Published: (1997)

Cell adhesion and cytoskeletal molecules in metastasis /
by: Cress, Anne E., et al.
Published: (2006)

Cell Adhesion Molecules in Fibrotic Diseases
by: Qianjiang Hu, et al.
Published: (2023-07-01)

Cell adhesion molecules in the pathogenesis of the schizophrenia
by: Antonino Messina, et al.
Published: (2023-10-01)

Systemic Inflammatory Response and Adhesion Molecules
by: L. V. Molchanova
Published: (2005-02-01)

Adhesion molecules in experimental peanut allergy
by: Bennett Jami, et al.
Published: (2010-11-01)