Results 41 to 50 of about 3,535,062 (289)

Auto In Silico Ligand Directing Evolution to Facilitate the Rapid and Efficient Discovery of Drug Lead

iScience, 2020
Summary: Motivated by the growing demand for reducing the chemical optimization burden of H2L, we developed auto in silico ligand directing evolution (AILDE, http://chemyang.ccnu.edu.cn/ccb/server/AILDE), an efficient and general approach for the rapid ...
Fengxu Wu, Linsheng Zhuo, Fan Wang, Wei Huang, Gefei Hao, Guangfu Yang   +5 more
doaj   +1 more source

Synthesis and biological activity of fused tetracyclic Pyrrolo[2,1-c][1,4]benzodiazepines

Heliyon, 2018
Cancer remains the second major cause of death in the world. Thus, there is a pressing need to identify potential synthetic route for the development of novel anticancer agents which will serve as lead compounds to effectively combat this life ...
Joel K. Annor-Gyamfi, John M. Jarrett, Joseph O. Osazee, Dobrusia Bialonska, Crystal Whitted, Victoria E. Palau, Abbas G. Shilabin   +6 more
doaj   +1 more source

Oxazolidinones as versatile scaffolds in medicinal chemistry

, 2023
Oxazolidinone is a five-member heterocyclic ring with several biological applications in medicinal chemistry. Among the three possible isomers, 2-oxazolidinone is the most investigated in drug discovery. Linezolid was pioneered as the first approved drug
Cauê Benito Scarim, Scarim, Cauê Benito [UNESP], Daniele Castagnolo, Fernandes, Guilherme Felipe Santos, Seong-Heun Kim, Jingyue Wu, Wu, Jingyue, Kim, Seong-Heun, Castagnolo, Daniele, Guilherme Felipe Santos Fernandes   +9 more
core   +1 more source

Development of a validated RP-HPLC/DAD method for the quantitative determination of methyl jasmonate in an insect repellent semi-solid formulation

Heliyon, 2019
A simple and efficient reversed-phase high-performance liquid chromatographic (RP-HPLC) method has been developed for the first time for the estimation of a mosquito repellent, methyl jasmonate in a cream formulation, and validated as per the ...
Johirul Islam, Saurav Phukan, Pronobesh Chattopadhyay   +2 more
doaj   +1 more source

Conserved binding mode but diverse interfaces of MreC‐PBP2 interactions

FEBS Letters, EarlyView.
The crystal structure of abMreC reveals a conserved two β‐barrel architecture and provides structural insights into its role within the bacterial elongasome. The abMreC–abPBP2 complex model identifies the molecular basis of MreC‐mediated PBP2 recognition, contributing to the regulation of peptidoglycan synthesis.
Hyunseok Jang, Hyo Been Jin, Chang Min Kim, So Yeon Lee, Hyun Ho Park   +4 more
wiley   +1 more source

New spectral resolution techniques for resolving and determining the components in binary fixed-dose combinations

Heliyon, 2019
Four spectrophotometric approaches were performed to determine a binary combination of Phenazone and Benzocaine in pure powder form and in pharmaceutical formations. This investigation submits the application of four techniques contingent on the presence
Duaa J. Al Zakri, Reem H. Obaydo, Amir Alhaj Sakur   +2 more
doaj   +1 more source

Microbiome‐blood–brain barrier interactions in aging — mechanisms and therapeutic potential

FEBS Letters, EarlyView.
Aging reshapes the gut microbiome (↓SCFA‐producing commensals; ↑pro‐inflammatory outputs), shifting circulating metabolites (↓SCFAs; ↑LPS, ↑TMAO, ↑PAA) that act at the BBB to increase nonspecific transcytosis, alter transport, and promote astrocyte reactivity, heightening brain vulnerability.
Daniel Cuervo‐Zanatta, Hari Baskar Balasubramanian, Amir Pasokh, Marietta Zille   +3 more
wiley   +1 more source

Detailed chemical characterization and molecular modeling of serotonin inclusion complex with unmodified β-cyclodextrin

Heliyon, 2019
In this study, we analyzed the capability of unmodified β-cyclodextrin (β-CD) to form the stable complex with serotonin hydrochloride (SER), as an important neurotransmitter in the brain.
F. Fateminasab, A.K. Bordbar, S. Shityakov   +2 more
doaj   +1 more source

30th Annual GP₂A Medicinal Chemistry Conference

Pharmaceuticals, 2023
The Group for the Promotion of Pharmaceutical Chemistry in Academia (GP2A) held their 30th annual conference in August 2022 in Trinity College Dublin, Ireland.
Niamh M. O’Boyle, Jean-Jacques Helesbeux, Mary J. Meegan, Astrid Sasse, Elizabeth O’Shaughnessy, Alina Qaisar, Aoife Clancy, Florence McCarthy, Pascal Marchand   +8 more
doaj   +1 more source

Structure‐forward targeting of claudins with synthetic binders

FEBS Letters, EarlyView.
Claudins form the paracellular barriers between epithelial and endothelial tissues at tight junctions and are targets for molecular binders with the goal of modulating barrier permeability. Claudin‐binding molecules are relevant in drug delivery or in altering claudin interactions with disease‐causing proteins.
Alex J. Vecchio
wiley   +1 more source