Original Research

Published on 13 Aug 2024

Structural analogs of 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine for targeting Candida albicans non-essential stress kinase Yck2 through protein-ligand binding and dynamics analysis

in Medicinal and Pharmaceutical Chemistry

Ahmed M. Hassan
Aiah M. Khateb
Safaa A. Turkistani
Meshari M. Alhamdan
Raed M. Garout
Vivek Dhar Dwivedi
Esam I. Azhar

Frontiers in Chemistry

doi 10.3389/fchem.2024.1430157

886 views
1 citation

Original Research

Published on 12 Aug 2024

Computational insights into rational design and virtual screening of pyrazolopyrimidine derivatives targeting Janus kinase 3 (JAK3)

in Medicinal and Pharmaceutical Chemistry

Abdelmoujoud Faris
Ivana Cacciatore
Radwan Alnajjar
Adnane Aouidate
Mohammed H. AL Mughram
Menana Elhallaoui

Frontiers in Chemistry

doi 10.3389/fchem.2024.1425220

1,072 views
1 citation

Original Research

Published on 08 Aug 2024

Mechanism investigation of highly selective inhibitors toward phosphodiesterase 5 and 6 via the in vitro calculation and simulation

in Medicinal and Pharmaceutical Chemistry

Lihang Qu
Kaijian Sun
Zhouyu Jiang
Ting Wang
Linlin Chen
Chunjian Shen
Ruidong Gu

Frontiers in Chemistry

doi 10.3389/fchem.2024.1400886

816 views
1 citation

Original Research

Published on 07 Aug 2024

Identification of 2-(N-aryl-1,2,3-triazol-4-yl) quinoline derivatives as antitubercular agents endowed with InhA inhibitory activity

in Medicinal and Pharmaceutical Chemistry

Ahmed Sabt
Maha-Hamadien Abdulla
Manal S. Ebaid
Jakub Pawełczyk
Hayam A. Abd El Salam
Ninh The Son
Nguyen Xuan Ha
Mansoor-Ali Vaali Mohammed
Thamer Traiki
Ahmed E. Elsawi

Frontiers in Chemistry

doi 10.3389/fchem.2024.1424017

1,261 views
1 citation

Original Research

Published on 06 Aug 2024

Pyridylpiperazine-based carbodithioates as urease inhibitors: synthesis and biological evaluation

in Medicinal and Pharmaceutical Chemistry

Muhammad Akash
Nehal Rana
Sana Aslam
Matloob Ahmad
Muhammad Jawwad Saif
Aneeza Asghar
Sadia Sultan
Sami A. Al-Hussain
Afifa Liaqat
Sumera Zaib

Frontiers in Chemistry

doi 10.3389/fchem.2024.1423385

728 views

Original Research

Published on 06 Aug 2024

Exploring novel Apalutamide analogues as potential therapeutics for prostate cancer: design, molecular docking investigations and molecular dynamics simulation

in Medicinal and Pharmaceutical Chemistry

Ajay Kumar Gupta
Yogesh Vaishnav
Sanmati Kumar Jain
Sivakumar Annadurai
Neeraj Kumar

Frontiers in Chemistry

doi 10.3389/fchem.2024.1418975

1,083 views

Original Research

Published on 29 Jul 2024

ROS1 kinase inhibition reimagined: identifying repurposed drug via virtual screening and molecular dynamics simulations for cancer therapeutics

in Medicinal and Pharmaceutical Chemistry

Mohammed Alrouji
Sabina Yasmin
Fahad A Alhumaydhi
Sharaf E. Sharaf
Moyad Shahwan
Anas Shamsi

Frontiers in Chemistry

doi 10.3389/fchem.2024.1392650

869 views

Original Research

Published on 25 Jul 2024

Design, synthesis, and bioevaluation of diarylpyrimidine derivatives as novel microtubule destabilizers

in Medicinal and Pharmaceutical Chemistry

Yutao Xiu
Yujing Zhang
Shanbo Yang
Lingyu Shi
Dongming Xing
Chao Wang

Frontiers in Chemistry

doi 10.3389/fchem.2024.1447831

784 views

Original Research

Published on 22 Jul 2024

Synthesis and In vitro evaluation of bichalcones as novel anti-toxoplasma agents

in Medicinal and Pharmaceutical Chemistry

Flaminia Mazzone
Moritz K. T. Klischan
Julian Greb
Sander H. J. Smits
Jörg Pietruszka
Klaus Pfeffer

Frontiers in Chemistry

doi 10.3389/fchem.2024.1406307

1,133 views

Original Research

Published on 17 Jul 2024

BAR502/fibrate conjugates: synthesis, biological evaluation and metabolic profile

in Medicinal and Pharmaceutical Chemistry

Claudia Finamore
Simona De Marino
Chiara Cassiano
Giuliano Napolitano
Pasquale Rapacciuolo
Silvia Marchianò
Michele Biagioli
Rosalinda Roselli
Cristina Di Giorgio
Carmen Festa

Frontiers in Chemistry

doi 10.3389/fchem.2024.1425867

775 views

Original Research

Published on 17 Jul 2024

Cheminformatics-based identification of phosphorylated RET tyrosine kinase inhibitors for human cancer

in Medicinal and Pharmaceutical Chemistry

Md. Enamul Kabir Talukder
Md. Aktaruzzaman
Noimul Hasan Siddiquee
Sabrina Islam
Tanveer A. Wani
Hamad M. Alkahtani
Seema Zargar
Md. Obayed Raihan
Md. Mashiar Rahman
Sushil Pokhrel

Frontiers in Chemistry

doi 10.3389/fchem.2024.1407331

3,852 views
3 citations

Original Research

Published on 16 Jul 2024

Extracellular vesicles enhance the in vivo antitumor effects of millettia species-derived compounds in chronic myelogenous leukemia therapy

in Medicinal and Pharmaceutical Chemistry

Zongzhou Xie
Xiaozhen Cheng
JianCang Mao
Yingqi Zhu
Le Li
Zhenxin Mei

Frontiers in Chemistry

doi 10.3389/fchem.2024.1425318

781 views

Original Research

Published on 16 Jul 2024

Synthesis, characterization, and anti-cancer potential of novel p53-mediated Mdm2 and Pirh2 modulators: an integrated In silico and In vitro approach

in Medicinal and Pharmaceutical Chemistry

Sarfaraj Niazi
C. P. Kavana
H. K. Aishwarya
Chandan Dharmashekar
Anisha Jain
Tanveer A. Wani
Chandan Shivamallu
Madhusudan N. Purohit
Shiva Prasad Kollur

Frontiers in Chemistry

doi 10.3389/fchem.2024.1366370

1,031 views

Original Research

Published on 15 Jul 2024

Development of a versatile [68Ga]Ga-FAPI-46 automated synthesis suitable to multi-elutions of germanium-68/gallium-68 generators

in Medicinal and Pharmaceutical Chemistry

Louis-Paul Paty
Simon Degueldre
Claire Provost
Camille Schmitt
Laura Trump
Julien Fouque
Charles Vriamont
Frank Valla
Thibault Gendron
Olivier Madar

Frontiers in Chemistry

doi 10.3389/fchem.2024.1411312

1,168 views

Original Research

Published on 12 Jul 2024

Comprehensive analysis of bioactive compounds in Crocus sativus stamens extracts by HPLC-DAD: investigating antidiabetic activity via in vitro, in vivo, and molecular docking simulation

in Medicinal and Pharmaceutical Chemistry

Samira Mamri
Nour Elhouda Daoudi
Abedellah Baraich
Sabir Ouahhoud
Amine Khoulati
Mohammed Choukri
Abdeslam Asehraou
Mohamed Bnouham
Bassem Jaouadi
Abdelkrim Abousalham

Frontiers in Chemistry

doi 10.3389/fchem.2024.1419120

1,334 views

Original Research

Published on 09 Jul 2024

Pharmacophore-based virtual screening of commercial databases against β-secretase 1 for drug development against Alzheimer’s disease

in Medicinal and Pharmaceutical Chemistry

Xu Han
Kaibo Guo

Frontiers in Chemistry

doi 10.3389/fchem.2024.1412349

896 views

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Articles

Structural analogs of 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine for targeting Candida albicans non-essential stress kinase Yck2 through protein-ligand binding and dynamics analysis

Computational insights into rational design and virtual screening of pyrazolopyrimidine derivatives targeting Janus kinase 3 (JAK3)

Mechanism investigation of highly selective inhibitors toward phosphodiesterase 5 and 6 via the in vitro calculation and simulation

Identification of 2-(N-aryl-1,2,3-triazol-4-yl) quinoline derivatives as antitubercular agents endowed with InhA inhibitory activity

Pyridylpiperazine-based carbodithioates as urease inhibitors: synthesis and biological evaluation

Exploring novel Apalutamide analogues as potential therapeutics for prostate cancer: design, molecular docking investigations and molecular dynamics simulation

ROS1 kinase inhibition reimagined: identifying repurposed drug via virtual screening and molecular dynamics simulations for cancer therapeutics

Design, synthesis, and bioevaluation of diarylpyrimidine derivatives as novel microtubule destabilizers

Synthesis and In vitro evaluation of bichalcones as novel anti-toxoplasma agents

BAR502/fibrate conjugates: synthesis, biological evaluation and metabolic profile

Cheminformatics-based identification of phosphorylated RET tyrosine kinase inhibitors for human cancer

Extracellular vesicles enhance the in vivo antitumor effects of millettia species-derived compounds in chronic myelogenous leukemia therapy

Synthesis, characterization, and anti-cancer potential of novel p53-mediated Mdm2 and Pirh2 modulators: an integrated In silico and In vitro approach

Development of a versatile [68Ga]Ga-FAPI-46 automated synthesis suitable to multi-elutions of germanium-68/gallium-68 generators

Comprehensive analysis of bioactive compounds in Crocus sativus stamens extracts by HPLC-DAD: investigating antidiabetic activity via in vitro, in vivo, and molecular docking simulation

Pharmacophore-based virtual screening of commercial databases against β-secretase 1 for drug development against Alzheimer’s disease