Original Research

Accepted on 17 Dec 2024

Exploring the Potential of some Natural indoles as Antiviral Agents: Quantum Chemical Analysis, Inverse Molecular docking and Affinity calculations

in Medicinal and Pharmaceutical Chemistry

Amany Belal
Aly Abdou
Samar F Miski
Mohamed A. M. Ali
Heba Ghamry
Ahmad J Obaidullah
Mohamed Y Zaky
Ahmed H.E. Hassan
Eun Joo Roh
Ahmed A. Al-Karmalawy

Frontiers in Chemistry

doi 10.3389/fchem.2024.1521298

Original Research

Accepted on 13 Dec 2024

Machine Learning and Molecular Dynamics Simulations Predict Potential TGR5 Agonists for Type 2 Diabetes Treatment

in Medicinal and Pharmaceutical Chemistry

Ojochenemi A. Enejoh
Chinelo Henrietta Okonkwo
Hector Nortey
Ainembabazi Moses
Olalekan A. Kemiki
Florence N. Mbaoji
Abdulrazak S. Yusuf
Olaitan I. Awe

Frontiers in Chemistry

doi 10.3389/fchem.2024.1503593

151 views

Original Research

Published on 13 Dec 2024

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

in Medicinal and Pharmaceutical Chemistry

Vijaya Jyothi Mallela
Mithun Rudrapal
D. S. N. B. K. Prasanth
Praveen Kumar Pasala
Atul R. Bendale
Soumya Bhattacharya
Sahar M. Aldosari
Johra Khan

Frontiers in Chemistry

doi 10.3389/fchem.2024.1505272

516 views

Original Research

Accepted on 12 Dec 2024

In silico identification of the anticataract target of βB2-crystallin from Phaseolus vulgaris: A new insight into cataract treatment

in Medicinal and Pharmaceutical Chemistry

Sunday Amos Onikanni
Adewale Oluwaseun Fadaka
Tran Nhat Phong Dao
Valens Munyembaraga
Vincent Nyau
Nicole Remaliah Samantha Sibuyi
Morenike Grace Ajayi
Nguyen Ai Thi Nhung
Emmanuel Ejiofor
Basiru Olaitan Ajiboye

Frontiers in Chemistry

doi 10.3389/fchem.2024.1421534

Original Research

Accepted on 11 Dec 2024

Two previously undescribed triterpenoid saponins from the roots and rhizomes of Caulophyllum robustum Maxim

in Medicinal and Pharmaceutical Chemistry

Cong-Yu Zhang
Yu -Mei Wang
Peng-cheng Qiu
Jia-Yu Feng
Bing-Wen Wang
Yu Cao
Yi-Sha Wei
Yi-Tong Zhou
Haifeng Tang
Yun-Yang Lu

Frontiers in Chemistry

doi 10.3389/fchem.2024.1507891

Original Research

Accepted on 10 Dec 2024

Exploring the Antifungal Potential of Cannabis Sativa-Derived Stilbenoids and Cannabinoids Against Novel Targets through In Silico Protein Interaction Profiling

in Medicinal and Pharmaceutical Chemistry

Kevser Kübra Kırboğa
Aman Karim
Ecir Ugur Küçüksille
Mithun Rudrapal
Johra Khan
Raghu Ram Achar
Ekaterina Silina
Natalia Manturova
Victor Stupin

Frontiers in Chemistry

doi 10.3389/fchem.2024.1515424

Review

Published on 10 Dec 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
Guangze Zhu

Frontiers in Chemistry

doi 10.3389/fchem.2024.1501844

349 views

Original Research

Accepted on 09 Dec 2024

Machine Learning and Molecular Docking Prediction of Potential Inhibitors against Dengue Virus

in Medicinal and Pharmaceutical Chemistry

George Hanson
Joseph Adams
Daveson I B Kepgang
Luke S Zondagh
Lewis Tem Bueh
Andy Asante
Soham A Shirolkar
Maureen Kisaakye
Hem Bondarwad
Olaitan I. Awe

Frontiers in Chemistry

doi 10.3389/fchem.2024.1510029

104 views

Original Research

Accepted on 09 Dec 2024

Establishment of fingerprint of phenolic compounds in Semen Ziziphi Spinosae and study on the spectrum-effect relationship based on different preceding cropping areas

in Medicinal and Pharmaceutical Chemistry

Junfeng Jiang
Jun Luo
Wenyu Zheng
Jiayi Liu
Hui Jiang
Cuiyun Wu
Hongjin Bai

Frontiers in Chemistry

doi 10.3389/fchem.2024.1520586

Original Research

Published on 09 Dec 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

361 views

Correction

Accepted on 06 Dec 2024

Corrigendum: Radiochemical and biological assessments of a PSMA-I&S cold kit for fast and inexpensive 99mTc-labeling for SPECT imaging and radioguided surgery in prostate cancer

in Medicinal and Pharmaceutical Chemistry

Leonardo Lima Fuscaldi
Danielle Vieira Sobral
Ana Claudia Durante
Fernanda Ferreira Mendonça
Ana Cláudia Camargo Miranda
Carla Salgueiro
Silvia Gomez de Castiglia
Lilian Yuri Itaya Yamaga
Marcelo Livorsi da Cunha
Luciana Malavolta

Frontiers in Chemistry

doi 10.3389/fchem.2024.1539768

Original Research

Published on 04 Dec 2024

Composition and antimicrobial activity of hydroalcoholic extracts of Pleurotus eryngii var. ferulae and P. eryngii var. elaeoselini

in Medicinal and Pharmaceutical Chemistry

Flavio Polito
Laura De Martino
Giulia Mirabile
Giuseppe Venturella
Maria Letizia Gargano
Vincenzo De Feo
Hazem S. Elshafie
Ippolito Camele

Frontiers in Chemistry

doi 10.3389/fchem.2024.1498787

370 views

Original Research

Published on 03 Dec 2024

The study of halogen effect on the reactivity of the serine-targeting covalent warheads

in Medicinal and Pharmaceutical Chemistry

Conghao Gai
Ya Zhang
Shihao Zhang
Xueyan Hu
Yun-Qing Song
Xiaoyu Zhuang
Xiaoyun Chai
Yan Zou
Guang-Bo Ge
Qingjie Zhao

Frontiers in Chemistry

doi 10.3389/fchem.2024.1504453

356 views

Original Research

Published on 02 Dec 2024

Cytotoxic activity of phenolic compounds in Bairui Granules obtained from the Chinese medicinal plant Thesium chinense

in Medicinal and Pharmaceutical Chemistry

Shaobin Zhang
Hong Chen
Juan Hua
Shihong Luo

Frontiers in Chemistry

doi 10.3389/fchem.2024.1506792

444 views

Original Research

Accepted on 28 Nov 2024

Evaluation of the anti-spasmodic activity of essential oils of Ammodaucus leucotrichus fruits and its main chemical component "Perillaldehyde" on intestinal smooth muscle contractions of rodents: Ex Vivo and In Silico Approaches

in Medicinal and Pharmaceutical Chemistry

Ahmed Karim
Mohamed Marghich
Ouafa Amrani
Abdelhay Addous
Sanae Malek
Leila Beyi
Tarik Harit
Dara Assad Aldisi
Mourad A. M. Aboul-Soud
John Paul Giesy

Frontiers in Chemistry

doi 10.3389/fchem.2024.1465674

107 views

Original Research

Published on 27 Nov 2024

Antioxidant potential, antimicrobial activity, polyphenol profile analysis, and cytotoxicity against breast cancer cell lines of hydro-ethanolic extracts of leaves of (Ficus carica L.) from Eastern Morocco

in Medicinal and Pharmaceutical Chemistry

Aziz Tikent
Salah Laaraj
Toufik Bouddine
Mohamed Chebaibi
Mohamed Bouhrim
Kaoutar Elfazazi
Ali S. Alqahtani
Omar M. Noman
Lhoussain Hajji
Larbi Rhazi

Frontiers in Chemistry

doi 10.3389/fchem.2024.1505473

677 views

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Articles

Exploring the Potential of some Natural indoles as Antiviral Agents: Quantum Chemical Analysis, Inverse Molecular docking and Affinity calculations

Machine Learning and Molecular Dynamics Simulations Predict Potential TGR5 Agonists for Type 2 Diabetes Treatment

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

In silico identification of the anticataract target of βB2-crystallin from Phaseolus vulgaris: A new insight into cataract treatment

Two previously undescribed triterpenoid saponins from the roots and rhizomes of Caulophyllum robustum Maxim

Exploring the Antifungal Potential of Cannabis Sativa-Derived Stilbenoids and Cannabinoids Against Novel Targets through In Silico Protein Interaction Profiling

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

Machine Learning and Molecular Docking Prediction of Potential Inhibitors against Dengue Virus

Establishment of fingerprint of phenolic compounds in Semen Ziziphi Spinosae and study on the spectrum-effect relationship based on different preceding cropping areas

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

Corrigendum: Radiochemical and biological assessments of a PSMA-I&S cold kit for fast and inexpensive 99mTc-labeling for SPECT imaging and radioguided surgery in prostate cancer

Composition and antimicrobial activity of hydroalcoholic extracts of Pleurotus eryngii var. ferulae and P. eryngii var. elaeoselini

The study of halogen effect on the reactivity of the serine-targeting covalent warheads

Cytotoxic activity of phenolic compounds in Bairui Granules obtained from the Chinese medicinal plant Thesium chinense

Evaluation of the anti-spasmodic activity of essential oils of Ammodaucus leucotrichus fruits and its main chemical component "Perillaldehyde" on intestinal smooth muscle contractions of rodents: Ex Vivo and In Silico Approaches

Antioxidant potential, antimicrobial activity, polyphenol profile analysis, and cytotoxicity against breast cancer cell lines of hydro-ethanolic extracts of leaves of (Ficus carica L.) from Eastern Morocco