Skip to Content

8,903 Results Found

  • Article
  • Open Access
108 Citations
16,530 Views
18 Pages

Chemical Structure-Related Drug-Like Criteria of Global Approved Drugs

  • Fei Mao,
  • Wei Ni,
  • Xiang Xu,
  • Hui Wang and ,
  • Jing Wang,
  • Min Ji and
  • Jian Li
  • + 2 authors+ 0 author

12 January 2016

The chemical structure of a drug determines its physicochemical properties, further determines its ADME/Tox properties, and ultimately affects its pharmacological activity. Medicinal chemists can regulate the pharmacological activity of drug molecule...

(This article belongs to the Special Issue Drug Design and Discovery: Principles and Applications)
  • Article
  • Open Access
14 Citations
4,414 Views
13 Pages

14 January 2023

Drug-induced liver injury (DILI) is the principal reason for failure in developing drug candidates. It is the most common reason to withdraw from the market after a drug has been approved for clinical use. In this context, data from animal models, li...

(This article belongs to the Topic Intelligent Computing Unlocks the Molecular Code of Complex Diseases)
  • Article
  • Open Access
12 Citations
4,667 Views
21 Pages

Remapping the Chemical Space and the Pharmacological Space of Drugs: What Can We Expect from the Road Ahead?

  • Lucas Silva Franco,
  • Bárbara da Silva Mascarenhas de Jesus,
  • Pedro de Sena Murteira Pinheiro and
  • Carlos Alberto Manssour Fraga

This work examines the current landscape of drug discovery and development, with a particular focus on the chemical and pharmacological spaces. It emphasizes the importance of understanding these spaces to anticipate future trends in drug discovery....

(This article belongs to the Section Medicinal Chemistry)
  • Article
  • Open Access
41 Citations
3,239 Views
20 Pages

Fundamental Aspects of Skin Cancer Drugs via Degree-Based Chemical Bonding Topological Descriptors

  • Abdul Rauf Khan,
  • Nadeem ul Hassan Awan,
  • Muhammad Usman Ghani,
  • Sayed M. Eldin and ,
  • Hanen Karamti,
  • Ahmed H. Jawhari and
  • Yousef E. Mukhrish
  • + 2 authors+ 0 author

24 April 2023

Due to significant advancements being made in the field of drug design, the use of topological descriptors remains the primary approach. When combined with QSPR models, descriptors illustrate a molecule’s chemical properties numerically. Number...

(This article belongs to the Special Issue Fundamental Aspects of Chemical Bonding)
  • Article
  • Open Access
5 Citations
5,494 Views
10 Pages

Elucidation of Chemical Interactions between Crude Drugs Using Quantitative Thin-Layer Chromatography Analysis

  • Naohiro Oshima,
  • Maho Saito,
  • Mina Niino,
  • Yuki Hiraishi and ,
  • Kana Ueki,
  • Kazuki Okoshi,
  • Takashi Hakamatsuka and
  • Noriyasu Hada
  • + 3 authors+ 0 author

18 January 2022

To elucidate the interactions between crude drugs in Kampo medicines (traditional Japanese medicines), it is important to determine the content of the constituents in a cost-effective and simple manner. In this study, we quantified the constituents i...

(This article belongs to the Section Natural Products Chemistry)
  • Systematic Review
  • Open Access
26 Citations
6,953 Views
25 Pages

Atrophy and Inflammatory Changes in Salivary Glands Induced by Oxidative Stress after Exposure to Drugs and Other Chemical Substances: A Systematic Review

  • Loredana Beatrice Ungureanu,
  • Irina Grădinaru,
  • Cristina Mihaela Ghiciuc,
  • Cornelia Amălinei and ,
  • Gabriela Luminița Gelețu,
  • Cristina Gabriela Petrovici and
  • Raluca Ștefania Stănescu
  • + 2 authors+ 0 author

21 September 2023

Background and Objectives: Oxidative stress is involved in the alterations at the level of salivary glands, being the cause of oral pathologies like xerostomia, periodontitis, gingivitis, leucoplakia, and cancer. It is known that antioxidants can rev...

(This article belongs to the Special Issue Environmental, Metabolic and Drug-Induced Stress Pathology – Diagnosis, Pharmacokinetics, Pharmacodynamics, and Modern Therapeutic Approaches)
  • Review
  • Open Access
85 Views
25 Pages

Metal-Based Anticancer Drugs: Integrating Pharmaceutical Perspectives with DFT-Based Quantum Chemical Topology (QTAIM and ELF)

  • Farah Al-Sahlawi,
  • Ali Al-Samydai,
  • Ahlam Hussein Hassan,
  • Amal Mayyas and ,
  • Mayyas Al-Remawi,
  • Hayder Abdulhussein Shakir,
  • M. R. Mozafari and
  • Marwan Abdelmahmoud Abdelkarim Maki
  • + 3 authors+ 0 author
Int. J. Mol. Sci.2026, 27(21), 9748;https://doi.org/10.3390/ijms27219748 
(registering DOI)

30 October 2026

Anticancer metal drugs are presented with mechanistically different opportunities in therapeutic use that are not limited by conventional organic chemotherapeutics. Molecular structure not only regulates their clinical behaviour but also their electr...

(This article belongs to the Special Issue Drug Delivery for Human Diseases: From Basic Research to Clinical Applications)
  • Article
  • Open Access
15 Citations
4,811 Views
12 Pages

Chemical Variations among Shengmaisan-Based TCM Patent Drugs by Ultra-High Performance Liquid Chromatography Coupled with Hybrid Quadrupole Orbitrap Mass Spectrometry

  • Lulu Xu,
  • Zhanpeng Shang,
  • Yungang Tian,
  • Ming Xiong and ,
  • Dilaram Nijat,
  • Yuan Wang,
  • Xue Qiao and
  • Min Ye
  • + 3 authors+ 0 author

30 June 2021

Shengmaisan (SMS) is a famous traditional Chinese medicine (TCM) formula to treat coronary heart diseases. It has been developed into several TCM patent drugs to meet the demands of different patients. In this study, a research strategy was proposed...

(This article belongs to the Special Issue State-of-the-Art Analytical Technologies for Natural Products)
  • Review
  • Open Access
12 Citations
5,432 Views
17 Pages

Chemical Sensor Nanotechnology in Pharmaceutical Drug Research

  • Lebogang Thobakgale,
  • Saturnin Ombinda-Lemboumba and
  • Patience Mthunzi-Kufa

5 August 2022

The increase in demand for pharmaceutical treatments due to pandemic-related illnesses has created a need for improved quality control in drug manufacturing. Understanding the physical, biological, and chemical properties of APIs is an important area...

(This article belongs to the Topic Advanced Nanomaterials for Sensing Applications)
  • Article
  • Open Access
22 Citations
4,382 Views
13 Pages

Advancing Adverse Drug Reaction Prediction with Deep Chemical Language Model for Drug Safety Evaluation

  • Jinzhu Lin,
  • Yujie He,
  • Chengxiang Ru,
  • Wulin Long and ,
  • Menglong Li and
  • Zhining Wen
  • + 1 author+ 0 author

The accurate prediction of adverse drug reactions (ADRs) is essential for comprehensive drug safety evaluation. Pre-trained deep chemical language models have emerged as powerful tools capable of automatically learning molecular structural features f...

(This article belongs to the Special Issue Machine Learning Applications in Bioinformatics and Biomedicine)
  • Review
  • Open Access
13 Citations
9,497 Views
15 Pages

Drugs as Chemical Weapons: Past and Perspectives

  • Vladimír Pitschmann and
  • Zdeněk Hon

4 January 2023

The emergence of modern chemical weapons and chemical warfare is traditionally associated with World War I, but the use of poisons in the military has its roots deep in the past. The sources of these poisons have always been natural agents that also...

(This article belongs to the Section Drugs Toxicity)
  • Review
  • Open Access
14 Citations
9,450 Views
17 Pages

Versatile Chemical Derivatizations to Design Glycol Chitosan-Based Drug Carriers

  • Sung Eun Kim,
  • Hak-Jun Kim,
  • Jin-Kyu Rhee and
  • Kyeongsoon Park

5 October 2017

Glycol chitosan (GC) and its derivatives have been extensively investigated as safe and effective drug delivery carriers because of their unique physiochemical and biological properties. The reactive functional groups such as the amine and hydroxyl g...

(This article belongs to the Special Issue Chitin and Chitosan Derivatives: Biological Activities and Application)
  • Review
  • Open Access
32 Citations
6,845 Views
26 Pages

Chemically Modified Alginate-Based Hydrogel-Matrices in Drug Delivery

  • Angélica Román-Guerrero,
  • Stefani Cortés-Camargo,
  • Erik Alpizar-Reyes,
  • Miriam Fabiola Fabela-Morón and ,
  • Julian Cruz-Olivares,
  • Sandra Karina Velázquez-Gutiérrez and
  • César Pérez-Alonso
  • + 2 authors+ 0 author

12 August 2025

Alginate is a biomaterial that has demonstrated considerable potential and adaptability in the field of controlled drug delivery due to its unique physicochemical properties. Chemical modification of alginate has significantly enhanced its functional...

  • Review
  • Open Access
25 Citations
13,486 Views
25 Pages

Therapeutic Target Identification and Drug Discovery Driven by Chemical Proteomics

  • Mingjie Zou,
  • Haiyuan Zhou,
  • Letian Gu,
  • Jingzi Zhang and
  • Lei Fang

23 July 2024

Throughout the human lifespan, from conception to the end of life, small molecules have an intrinsic relationship with numerous physiological processes. The investigation into small-molecule targets holds significant implications for pharmacological...

(This article belongs to the Special Issue Innovative Biotechnologies for Advancing Protein Function Investigation)
  • Review
  • Open Access
27 Citations
13,848 Views
35 Pages

27 October 2014

How can diversity-oriented strategies for chemical synthesis provide chemical tools to help shape our understanding of complex cancer pathways and progress anti-cancer drug discovery efforts? This review (surveying the literature from 2003 to the pr...

(This article belongs to the Section Molecular Diversity)
  • Editorial
  • Open Access
35 Citations
5,920 Views
3 Pages

13 November 2020

Plants have a long history of use as traditional remedies to treat a range of diseases and the diverse chemicals that they produce have provided great inspiration for the design of new drugs to date. Many plants have yet to be investigated for the pr...

(This article belongs to the Special Issue Plant-Derived Chemicals: A Source of Inspiration for New Drugs)
  • Article
  • Open Access
6 Citations
4,192 Views
21 Pages

A Retrospective Study of Epidemiological Correlations of Food, Drug and Chemical Poisoning in Al-Baha, Western Saudi Arabia

  • Saba Beigh,
  • Ali Mahzari,
  • Read A. Alharbi,
  • Rahaf A. Al-Ghamdi and ,
  • Hanan E. Alyahyawi,
  • Hind A. Al-Zahrani and
  • Saeedah Al-Jadani
  • + 2 authors+ 0 author

Poisoning is a common and severe problem worldwide. Due to significant growth in the agricultural, chemical, and pharmaceutical industries over the past few decades, poisoning risks have increased with the use of food, chemicals, and medicines everyw...

  • Article
  • Open Access
17 Citations
5,692 Views
15 Pages

Ambient Pressure Laser Desorption—Chemical Ionization Mass Spectrometry for Fast and Reliable Detection of Explosives, Drugs, and Their Precursors

  • René Reiss,
  • Sven Ehlert,
  • Jan Heide,
  • Michael Pütz and ,
  • Thomas Forster and
  • Ralf Zimmermann
  • + 1 author+ 0 author

5 June 2018

Fast and reliable information is crucial for first responders to draw correct conclusions at crime scenes. An ambient pressure laser desorption (APLD) mass spectrometer is introduced for this scenario, which enables detecting substances on surfaces w...

(This article belongs to the Section Chemical and Molecular Sciences)
  • Article
  • Open Access
3 Citations
3,001 Views
19 Pages

16 December 2023

Drug side effects (DSEs) or adverse drug reactions (ADRs) are a major concern in the healthcare industry, accounting for a significant number of annual deaths in Europe alone. Identifying and predicting DSEs early in the drug development process is c...

(This article belongs to the Special Issue Applications of Deep Learning in Bioinformatics and Image Processing)
  • Review
  • Open Access
140 Citations
14,999 Views
21 Pages

Recent Advances in Chemically-Modified and Hybrid Carrageenan-Based Platforms for Drug Delivery, Wound Healing, and Tissue Engineering

  • Hamidreza Mokhtari,
  • Shima Tavakoli,
  • Fereshteh Safarpour,
  • Mahshid Kharaziha and ,
  • Hamid Reza Bakhsheshi-Rad,
  • Seeram Ramakrishna and
  • Filippo Berto
  • + 2 authors+ 0 author

26 May 2021

Recently, many studies have focused on carrageenan-based hydrogels for biomedical applications thanks to their intrinsic properties, including biodegradability, biocompatibility, resembling native glycosaminoglycans, antioxidants, antitumor, immunomo...

(This article belongs to the Special Issue Biomaterials in Medical Applications)
  • Review
  • Open Access
33 Citations
5,427 Views
17 Pages

9 October 2022

With the increasing understanding of various disease-related noncoding RNAs, ncRNAs are emerging as novel drugs and drug targets. Nucleic acid drugs based on different types of noncoding RNAs have been designed and tested. Chemical modification has b...

(This article belongs to the Special Issue Nucleic Acid Chemical Biology: An Honorary Issue for Professor Li-He Zhang on the Occasion of His 85th Birthday)
  • Article
  • Open Access
18 Citations
11,144 Views
17 Pages

In Vitro Methods for Predicting Chemical Leukoderma Caused by Quasi-Drug Cosmetics

  • Lihao Gu,
  • Haifeng Zeng,
  • Tomomi Takahashi and
  • Kazuhisa Maeda

2 September 2017

Skin care cosmetics frequently contain whitening or lightening agents. The present study aimed to establish in vitro methods for predicting chemical leukoderma caused by whitening agents in cosmetics. The risks of chemical leukoderma were predicted b...

(This article belongs to the Section Cosmetic Technology)
  • Review
  • Open Access
17 Citations
7,127 Views
20 Pages

1 August 2021

With the development of new anticancer medicines, novel modalities are being explored for cancer treatment. For many years, conventional modalities, such as small chemical drugs and antibody drugs, have worked by “inhibiting the function” of target p...

(This article belongs to the Special Issue Exosome Biology for Nucleic Acid Medicine—From Bench to Bed)
  • Article
  • Open Access
13 Citations
5,844 Views
10 Pages

Simultaneous Detection of Drug-Induced Liver Injury Protein and microRNA Biomarkers Using Dynamic Chemical Labelling on a Luminex MAGPIX System

  • Antonio Marín-Romero,
  • Mavys Tabraue-Chávez,
  • Bárbara López-Longarela,
  • Mario A. Fara and ,
  • Rosario M. Sánchez-Martín,
  • James W. Dear,
  • Hugh Ilyine,
  • Juan J. Díaz-Mochón and
  • Salvatore Pernagallo
  • + 4 authors+ 0 author

3 October 2021

Drug-induced liver injury (DILI) is a potentially fatal adverse event and a leading cause for pre- and post-marketing drug withdrawal. Several multinational DILI initiatives have now recommended a panel of protein and microRNA (miRNA) biomarkers that...

(This article belongs to the Collection Analytical and Applied Chemistry: The Challenges and Opportunities for Growth in the 21st Century)
  • Review
  • Open Access
38 Citations
17,732 Views
28 Pages

Nowadays, more and more young people want to experience illegal, psychoactive substances, without knowing the risks of exposure. Besides affecting social life, psychoactive substances also have an important effect on consumer health. We summarized an...

  • Review
  • Open Access
5 Citations
4,486 Views
29 Pages

This paper is part II of the review on metabolism and chemical degradation of new antidiabetic drugs from glutides, gliflozins and gliptins. It is well known that metabolism data can be helpful for deriving safe levels of degradation impurities and t...

(This article belongs to the Section Drug Discovery, Development and Delivery)
  • Review
  • Open Access
21 Citations
7,335 Views
17 Pages

This review provides details about three small molecules that were recently approved by the FDA for the treatment of thrombocytopenia. The new treatments include lusutrombopag, avatrombopag, and fostamatinib. The first two drugs are orally active thr...

(This article belongs to the Section Molecular Pharmacology)
  • Article
  • Open Access
5 Citations
4,088 Views
14 Pages

Chemical Genetic Screen in Drosophila Germline Uncovers Small Molecule Drugs That Sensitize Stem Cells to Insult-Induced Apoptosis

  • Julien Roy Ishibashi,
  • Riya Keshri,
  • Tommy Henry Taslim,
  • Daniel Kennedy Brewer and ,
  • Tung Ching Chan,
  • Scott Lyons,
  • Anika Marie McManamen,
  • Ashley Chen,
  • Debra Del Castillo and
  • Hannele Ruohola-Baker
  • + 5 authors+ 0 author

16 October 2021

Cancer stem cells, in contrast to their more differentiated daughter cells, can endure genotoxic insults, escape apoptosis, and cause tumor recurrence. Understanding how normal adult stem cells survive and go to quiescence may help identify druggable...

(This article belongs to the Special Issue Drosophila: A Model for Genetic Research)
  • Feature Paper
  • Review
  • Open Access
152 Citations
16,773 Views
13 Pages

9 February 2020

During 2019, the US Food and Drug Administration (FDA) approved 48 new drugs (38 New Chemical Entities and 10 Biologics). Although this figure is slightly lower than that registered in 2018 (59 divided between 42 New Chemical Entities and 17 Biologic...

  • Feature Paper
  • Review
  • Open Access
116 Citations
15,339 Views
14 Pages

25 January 2021

Although the pharmaceutical industry will remember 2020 as the year of COVID-19, it is important to highlight that this year has been the second-best—together with 1996—in terms of the number of drugs accepted by the US Food and Drug Admi...

(This article belongs to the Special Issue Molecules Medicinal Chemistry Reviews)
  • Feature Paper
  • Review
  • Open Access
128 Citations
20,912 Views
12 Pages

23 February 2019

The Food and Drug Administration approved 59 new drugs (42 New Chemical Entities and 17 Biologics) during 2018. This number breaks the previous record of 53 approved by the same organization in 1996. The 17 new biologics approved in 2018 also represe...

(This article belongs to the Section Medicinal Chemistry)
  • Article
  • Open Access
27 Citations
5,018 Views
13 Pages

11 September 2019

A well-behaved model chemistry previously validated for the study of the chemical reactivity of peptides was considered for the calculation of the molecular properties and structures of the Papuamide family of marine peptides. A methodology based on...

(This article belongs to the Special Issue Computational Methods for Drug Discovery and Design)
  • Entry
  • Open Access
100 Citations
22,324 Views
11 Pages

Molecular Filters in Medicinal Chemistry

  • Sebastjan Kralj,
  • Marko Jukič and
  • Urban Bren

Efficient chemical library design for high-throughput virtual screening and drug design requires a pre-screening filter pipeline capable of labeling aggregators, pan-assay interference compounds (PAINS), and rapid elimination of swill (REOS); identif...

(This article belongs to the Section Chemistry)
  • Article
  • Open Access
5 Citations
3,739 Views
18 Pages

In Vivo Chemical Screening in Zebrafish Embryos Identified FDA-Approved Drugs That Induce Differentiation of Acute Myeloid Leukemia Cells

  • Xiaona Wei,
  • Wei Wang,
  • Qianlan Yin,
  • Hongji Li and ,
  • Abrar Ahmed,
  • Rahat Ullah,
  • Wei Li and
  • Lili Jing
  • + 3 authors+ 0 author

Acute myeloid leukemia (AML) is characterized by the abnormal proliferation and differentiation arrest of myeloid progenitor cells. The clinical treatment of AML remains challenging. Promoting AML cell differentiation is a valid strategy, but effecti...

(This article belongs to the Special Issue Zebrafish as a Model in Human Disease: 3rd Edition)
  • Review
  • Open Access
40 Citations
10,104 Views
41 Pages

SARS-CoV-2: Repurposed Drugs and Novel Therapeutic Approaches—Insights into Chemical Structure—Biological Activity and Toxicological Screening

  • Cristina Adriana Dehelean,
  • Voichita Lazureanu,
  • Dorina Coricovac,
  • Marius Mioc and ,
  • Roxana Oancea,
  • Iasmina Marcovici,
  • Iulia Pinzaru,
  • Codruta Soica,
  • Aristidis M. Tsatsakis and
  • Octavian Cretu
  • + 5 authors+ 0 author

SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) pandemic represents the primary public health concern nowadays, and great efforts are made worldwide for efficient management of this crisis. Considerable scientific progress was recorded r...

(This article belongs to the Section Infectious Diseases)
  • Review
  • Open Access
30 Citations
12,005 Views
23 Pages

Diversity-Oriented Synthesis as a Tool for Chemical Genetics

  • Elena Lenci,
  • Antonio Guarna and
  • Andrea Trabocchi

14 October 2014

Chemical genetics is an approach for identifying small molecules with the ability to induce a biological phenotype or to interact with a particular gene product, and it is an emerging tool for lead generation in drug discovery. Accordingly, there is...

(This article belongs to the Section Molecular Diversity)
  • Review
  • Open Access
15 Citations
5,290 Views
16 Pages

26 January 2026

In 2025, the U.S. Food and Drug Administration (FDA) approved 44 new drugs, reflecting a slight decrease compared to previous years but maintaining the overall trends in pharmaceutical innovation. Biologics accounted for 25% of approvals, including n...

(This article belongs to the Section Medicinal Chemistry)
  • Review
  • Open Access
110 Citations
17,216 Views
15 Pages

5 February 2022

Similar to last year, 2021 will be remembered for the COVID-19 pandemic. Although five vaccines have been approved by the two most important drug regulatory agencies, namely the US Food and Drug Administration (FDA) and the European Medicines Agency...

  • Article
  • Open Access
24 Citations
5,380 Views
24 Pages

31 October 2019

Deep-sea natural products have been created by unique marine organisms that thrive in a challenging environment of extreme conditions for its inhabitants. In this study, 179 deep-sea natural products isolated from 2009 to 2013 were investigated by an...

(This article belongs to the Section Natural Products Chemistry)
  • Article
  • Open Access
20 Citations
6,587 Views
21 Pages

Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB

  • Alejandro Gómez-García,
  • Daniel A. Acuña Jiménez,
  • William J. Zamora,
  • Haruna L. Barazorda-Ccahuana and ,
  • Miguel Á. Chávez-Fumagalli,
  • Marilia Valli,
  • Adriano D. Andricopulo,
  • Vanderlan da S. Bolzani,
  • Dionisio A. Olmedo and
  • José L. Medina-Franco
  • + 10 authors+ 5 authors

30 September 2023

The number of databases of natural products (NPs) has increased substantially. Latin America is extraordinarily rich in biodiversity, enabling the identification of novel NPs, which has encouraged both the development of databases and the implementat...

(This article belongs to the Section Natural Products)
  • Review
  • Open Access
50 Citations
26,685 Views
15 Pages

22 January 2025

The U.S. Food and Drug Administration (FDA) has authorized 50 new drugs in 2024, which matches the average figure for recent years (2018–2023). The approval of 13 monoclonal antibodies (mAbs) sets a new record, with these molecules accounting f...

(This article belongs to the Section Medicinal Chemistry)
  • Article
  • Open Access
9 Citations
4,657 Views
24 Pages

The identification of drug–drug and chemical–protein interactions is essential for understanding unpredictable changes in the pharmacological effects of drugs and mechanisms of diseases and developing therapeutic drugs. In this study, we...

(This article belongs to the Special Issue Health and Public Health Applications for Decision Support Using Machine Learning)
  • Feature Paper
  • Review
  • Open Access
51 Citations
10,595 Views
8 Pages

27 February 2018

This is an analysis from a chemical point of view of the 46 drugs (34 New Chemical Entities and 12 Biologics) approved by the FDA during 2017. The drugs included in the 2017 “harvest” have been classified on the basis of their chemical structure: bio...

(This article belongs to the Section Medicinal Chemistry)
  • Review
  • Open Access
50 Citations
10,548 Views
30 Pages

A Review on Contaminants of Emerging Concern in the Environment: A Focus on Active Chemicals in Sub-Saharan Africa

  • Asha S. Ripanda,
  • Mwemezi Johaiven Rwiza,
  • Elias C. Nyanza,
  • Karoli N. Njau and ,
  • Said A. H. Vuai and
  • Revocatus L. Machunda
  • + 1 author+ 0 author

22 December 2021

Active chemicals are among the contaminants of emerging concern that are rarely covered in regulatory documents in sub-Saharan Africa. These substances are neither in the list of routinely monitored substances nor in the guidelines for routine enviro...

  • Article
  • Open Access
26 Citations
11,969 Views
54 Pages

Modeling Chemical Interaction Profiles: II. Molecular Docking, Spectral Data-Activity Relationship, and Structure-Activity Relationship Models for Potent and Weak Inhibitors of Cytochrome P450 CYP3A4 Isozyme

  • Yunfeng Tie,
  • Brooks McPhail,
  • Huixiao Hong,
  • Bruce A. Pearce and ,
  • Laura K. Schnackenberg,
  • Weigong Ge,
  • Dan A. Buzatu,
  • Jon G. Wilkes,
  • James C. Fuscoe and
  • Eugene Demchuk
  • + 8 authors+ 3 authors

15 March 2012

Polypharmacy increasingly has become a topic of public health concern, particularly as the U.S. population ages. Drug labels often contain insufficient information to enable the clinician to safely use multiple drugs. Because many of the drugs are bi...

(This article belongs to the Special Issue QSAR and Its Applications)
  • Review
  • Open Access
4 Citations
5,469 Views
40 Pages

Utilization of Cannabidiol in Post-Organ-Transplant Care

  • Sachiko Koyama,
  • Jumar Etkins,
  • Joshua Jun,
  • Matthew Miller and ,
  • Gerald C. So,
  • Debora L. Gisch and
  • Michael T. Eadon
  • + 2 authors+ 0 author

Cannabidiol (CBD) is one of the major phytochemical constituents of cannabis, Cannabis sativa, widely recognized for its therapeutic potential. While cannabis has been utilized for medicinal purposes since ancient times, its psychoactive and addictiv...

(This article belongs to the Section Bioactives and Nutraceuticals)
  • Article
  • Open Access
9 Citations
8,606 Views
16 Pages

Chemoinformatic Analysis as a Tool for Prioritization of Trypanocidal Marine Derived Lead Compounds

  • Yunjiang Feng,
  • Marc Campitelli,
  • Rohan A. Davis and
  • Ronald J. Quinn

4 March 2014

Marine trypanocidal natural products are, most often, reported with trypanocidal activity and selectivity against human cell lines. The triaging of hits requires a consideration of chemical tractability for drug development. We utilized a combined Li...

(This article belongs to the Special Issue Antiprotozoal Marine Natural Products)
  • Review
  • Open Access
30 Citations
8,419 Views
6 Pages

27 February 2017

This is an analysis from a chemical point of view of the 22 drugs accepted by the FDA during 2016. The different drugs from the 2016 “harvest” have been classified according to their chemical structure: antibodies; TIDES (oligonucleotides and peptide...

  • Article
  • Open Access
18 Citations
6,448 Views
26 Pages

Chemical Elicitors Induce Rare Bioactive Secondary Metabolites in Deep-Sea Bacteria under Laboratory Conditions

  • Rafael de Felício,
  • Patricia Ballone,
  • Cristina Freitas Bazzano,
  • Luiz F. G. Alves and ,
  • Renata Sigrist,
  • Gina Polo Infante,
  • Henrique Niero,
  • Fernanda Rodrigues-Costa,
  • Arthur Zanetti Nunes Fernandes and
  • Daniela Barretto Barbosa Trivella
  • + 13 authors+ 8 authors

12 February 2021

Bacterial genome sequencing has revealed a vast number of novel biosynthetic gene clusters (BGC) with potential to produce bioactive natural products. However, the biosynthesis of secondary metabolites by bacteria is often silenced under laboratory c...

(This article belongs to the Special Issue Microbiome and Metabolome)
  • Article
  • Open Access
67 Citations
7,058 Views
16 Pages

Development and Validation of an Explainable Machine Learning-Based Prediction Model for Drug–Food Interactions from Chemical Structures

  • Quang-Hien Kha,
  • Viet-Huan Le,
  • Truong Nguyen Khanh Hung,
  • Ngan Thi Kim Nguyen and
  • Nguyen Quoc Khanh Le

13 April 2023

Possible drug–food constituent interactions (DFIs) could change the intended efficiency of particular therapeutics in medical practice. The increasing number of multiple-drug prescriptions leads to the rise of drug–drug interactions (DDIs...

(This article belongs to the Section Intelligent Sensors)

of 179