Molecular docking is the most frequently used computational method for studying the
interactions between organic molecules and biological macromolecules. In this context …

Abstract 3D-MoRSE is a very flexible 3D structure encoding framework for chemoinformatics
and QSAR purposes due to the range of scattering parameter values and variety of …

Branched-chain amino acids (BCAAs), particularly leucine, are indispensable AAs for
immune regulation through metabolic rewiring. However, the molecular mechanism …

Metabolism of Branched-chain amino acids (BCAAs) is essential for the nutrient necessities
in mammals. Catalytic enzymes serve to direct the whole-body BCAAs oxidation which …

Non-peptidic thrombin inhibitors (TIs; 177 compounds) with diverse groups at motifs P1
(such as oxyguanidine, amidinohydrazone, amidine, amidinopiperidine), P2 (such as …

In this study, a new series of Isoxazole-carboxamide derivatives were synthesized and
characterized via HRMS, 1 H-, 13 C APT-NMR, and MicroED. The findings revealed that …

To discover novel fungicidal agrochemicals for treating wheat scab, 39 novel camphor
sulfonohydrazide/sulfonamide derivatives 4a–4t and 6a–6s were designed and synthesized …

Nonalcoholic fatty liver disease (NAFLD) is a prevalent hepatic disease in the world.
Disorders of branched chain amino acid (BCAA) metabolism is involved in various diseases …

Branched-chain amino acids (BCAAs) are essential amino acids for humans and play an
indispensable role in many physiological and pathological processes. Branched-chain …

A series of spiro [indoline-3, 4′-pyrano [2, 3-c] pyrazoles] were synthesized by a one-pot
four-component reaction of ethyl acetoacetate, hydrazine hydrate, malononitrile, and isatin …