Original Research

Published on 25 Nov 2024

Screening, optimization, and ADMET evaluation of HCJ007 for pancreatic cancer treatment through active learning and dynamics simulation

in Theoretical and Computational Chemistry

YunYun Xu
Qiang Wang
GaoQiang Xu
YouJian Xu
YiPing Mou

Frontiers in Chemistry

doi 10.3389/fchem.2024.1482758

181 views

Original Research

Published on 25 Nov 2024

Computational modeling of cyclotides as antimicrobial agents against Neisseria gonorrhoeae PorB porin protein: integration of docking, immune, and molecular dynamics simulations

in Theoretical and Computational Chemistry

Muzamal Hussain
Nazia Kanwal
Alishba Jahangir
Nouman Ali
Nimra Hanif
Obaid Ullah

Frontiers in Chemistry

doi 10.3389/fchem.2024.1493165

359 views

Original Research

Published on 25 Nov 2024

Sustainable synthesis of antibacterial 3-aryl-2H-benzo[b,1,4]oxazin-2-ones via SNAr Csp2–Csp2 coupling

in Organic Chemistry

Fatemeh Salehzadeh
Maryam Esmkhani
Milad Noori
Shahrzad Javanshir
Aida Iraji
Mohammad Mahdavi

Frontiers in Chemistry

doi 10.3389/fchem.2024.1472342

222 views

Original Research

Published on 25 Nov 2024

Synthesis, characterization and irritant effects of nonivamide irritant riot control agent based on ionic liquids

in Molecular Liquids

Weiting Ma
Hongying Wang
Zhenxiong Wang
Dong Chen
Ling Yuan
Liang Qin
Zongshu Mei

Frontiers in Chemistry

doi 10.3389/fchem.2024.1508396

184 views

Review

Accepted on 22 Nov 2024

Recent advances in the treatment of non-small cell lung cancer with MET inhibitors

in Medicinal and Pharmaceutical Chemistry

Dongna Zhang
Wenying Zhang
He Liu
Pan Liu
Chunxin Li
Yangyang Liu
Jicheng Han
Guang-Ze Zhu

Frontiers in Chemistry

doi 10.3389/fchem.2024.1501844

Original Research

Accepted on 22 Nov 2024

Lotus seed (Nelumbinis semen) extract: anticancer potential and chemoprofiling by in vitro, in silico and GC-MS studies

in Medicinal and Pharmaceutical Chemistry

Mithun Rudrapal
Vijaya Jyothi Mallela
Prasanth DSNBK
Dr.Praveen Pasala
Atul R Bendale
Soumya Bhattacharya
Sahar M Aldosari
Johra Khan

Frontiers in Chemistry

doi 10.3389/fchem.2024.1505272

125 views

Editorial

Published on 22 Nov 2024

Editorial: Antibacterial effects and mode of action of new active substances against drug resistant pathogenic bacteria

in Medicinal and Pharmaceutical Chemistry

Abderrahmen Merghni

Frontiers in Chemistry

doi 10.3389/fchem.2024.1526451

145 views

Editorial

Published on 22 Nov 2024

Editorial: Functional nanogels and multicomponent supramolecular systems

in Supramolecular Chemistry

Bruno Pedras
Eduardo R. Triboni

Frontiers in Chemistry

doi 10.3389/fchem.2024.1526301

132 views

Original Research

Accepted on 21 Nov 2024

New Reverse Sum Revan Indices for Physicochemical and Pharmacokinetic Properties of Anti-filovirus Drugs

in Theoretical and Computational Chemistry

Tamilarasi W
Balamurugan Bommahalli Jayaraman

Frontiers in Chemistry

doi 10.3389/fchem.2024.1486933

126 views

Review

Accepted on 21 Nov 2024

Photochemical reactions of biomass derived platform chemicals

in Green and Sustainable Chemistry

Norbert Hoffmann
Mario Andrés Gomez Fernandez
Arthur Desvals
Corentin Lefebvre
Clément Michelin
Mohammed Latrache

Frontiers in Chemistry

doi 10.3389/fchem.2024.1485354

Review

Published on 20 Nov 2024

Advances of naturally derived biomedical polymers in tissue engineering

in Polymer Chemistry

Tao Hu
Jie Fang
Yang Shen
Mingyang Li
Bin Wang
Zushun Xu
Weikang Hu

Frontiers in Chemistry

doi 10.3389/fchem.2024.1469183

373 views

Original Research

Published on 20 Nov 2024

Effect of plant fibers on the physical properties of slurry-processed reconstituted tobacco

in Green and Sustainable Chemistry

Tong Liu
Yixuan Wang
Chunping Wang
Qi Zhang
Le Wang
Yuhan Li
Linyang Xu
Xinyan Jin
Xianzhong Yin
Zhan Zhang

Frontiers in Chemistry

doi 10.3389/fchem.2024.1463648

261 views

Original Research

Published on 20 Nov 2024

POCOP-Ni(II) pincer compounds derived from phloroglucinol. Cytotoxic and antioxidant evaluation

in Inorganic Chemistry

Andrés Amaya-Flórez
Juan S. Serrano-García
Jordi Ruiz-Galindo
Antonino Arenaza-Corona
J. Antonio Cruz-Navarro
Adrian L. Orjuela
Jorge Alí-Torres
Marcos Flores-Alamo
Patricia Cano-Sanchez
Viviana Reyes-Márquez

Frontiers in Chemistry

doi 10.3389/fchem.2024.1483999

289 views

Original Research

Accepted on 19 Nov 2024

Chemical Composition, Antimicrobial, and Antioxidant Properties of Essential Oils from Artemisia herba-alba Asso. and Artemisia huguetii Caball. from Morocco: In vitro and in silico Evaluation

in Medicinal and Pharmaceutical Chemistry

Mohamed El Ouardi
Aziz Drioiche
Fadoua El Makhoukhi
Jamal Mabrouki
Mohammed Hakmi
Omkulthom Al Kamaly
Bshra A. Alsfouk
Brahim Eddamsyry
Hamid Khamar
Touriya Zair

Frontiers in Chemistry

doi 10.3389/fchem.2024.1456684

Original Research

Published on 19 Nov 2024

Di-[trioctyl-(8-phenyloctyl)-phosphonium] pamoate: synthesis and characterization of a novel, highly hydrophobic ionic liquid for the extraction of scandium, thorium and uranium

in Molecular Liquids

Andreas Gradwohl
Jakob Windisch
Alexander Rosner
Julia Heninger
Philipp L. Fuhrmann
Gabriele Wallner
Bernhard K. Keppler
Wolfgang Kandioller
Franz Jirsa

Frontiers in Chemistry

doi 10.3389/fchem.2024.1502232

272 views

Original Research

Published on 18 Nov 2024

Analysis of the key component puff-by-puff transport in special segments and aerosol for electrical heated tobacco product

in Analytical Chemistry

Xinyan Jin
Decai Meng
Lili Fu
Yang Zhao
Qi Zhang
Zhan Zhang
Xianzhong Yin
Qinpeng Shen
Shuang Wang
Yue Zhang

Frontiers in Chemistry

doi 10.3389/fchem.2024.1477795

246 views

Navigation group

Articles

Screening, optimization, and ADMET evaluation of HCJ007 for pancreatic cancer treatment through active learning and dynamics simulation

Computational modeling of cyclotides as antimicrobial agents against Neisseria gonorrhoeae PorB porin protein: integration of docking, immune, and molecular dynamics simulations

Sustainable synthesis of antibacterial 3-aryl-2H-benzo[b,1,4]oxazin-2-ones via SNAr Csp2–Csp2 coupling

Synthesis, characterization and irritant effects of nonivamide irritant riot control agent based on ionic liquids

Recent advances in the treatment of non-small cell lung cancer with MET inhibitors

Lotus seed (Nelumbinis semen) extract: anticancer potential and chemoprofiling by in vitro, in silico and GC-MS studies

Editorial: Antibacterial effects and mode of action of new active substances against drug resistant pathogenic bacteria

Editorial: Functional nanogels and multicomponent supramolecular systems

New Reverse Sum Revan Indices for Physicochemical and Pharmacokinetic Properties of Anti-filovirus Drugs

Photochemical reactions of biomass derived platform chemicals

Advances of naturally derived biomedical polymers in tissue engineering

Effect of plant fibers on the physical properties of slurry-processed reconstituted tobacco

POCOP-Ni(II) pincer compounds derived from phloroglucinol. Cytotoxic and antioxidant evaluation

Chemical Composition, Antimicrobial, and Antioxidant Properties of Essential Oils from Artemisia herba-alba Asso. and Artemisia huguetii Caball. from Morocco: In vitro and in silico Evaluation

Di-[trioctyl-(8-phenyloctyl)-phosphonium] pamoate: synthesis and characterization of a novel, highly hydrophobic ionic liquid for the extraction of scandium, thorium and uranium

Analysis of the key component puff-by-puff transport in special segments and aerosol for electrical heated tobacco product