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Natural Product Chemistry in Drug Discovery
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Natural Product Chemistry in Drug Discovery

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: closed (30 November 2023) | Viewed by 15594

Special Issue Editor

Prof. Dr. Su-Jane Wang

E-Mail Website
Guest Editor
1. School of Medicine, Fu Jen Catholic University, No.510, Zhongzheng Rd., Xinzhuang Dist, New Taipei City 24205, Taiwan
2. Research Center for Chinese Herbal Medicine, College of Human Ecology, Chang Gung University of Science and Technology, Taoyuan 33303, Taiwan
Interests: natural products; neuroscience; neuropharmacology; epilepsy
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Natural products in herbal remedies, medicinal plants, functional foods, and their constituents have been extensively studied in recent years. They are chemical compounds that usually have numerous biological activities. Since natural products have fewer side effects than synthetic drugs, they are an interesting and sustainable alternative for preventing and treating various diseases, including cancer, infectious disease, cardiovascular diseases, carbohydrate- and cholesterol-mediated diseases, and inflammatory, neurological, and immunological diseases. In fact, drugs currently in use are directly or indirectly derived from natural products, including flavonoids, alkaloids, terpenoids, and others. Thus, natural products constitute an important source for the development of potential new drugs. The purpose of this Special Issue of Molecules is to collect original research articles and reviews on molecular mechanisms of therapeutic effects of natural products in a wide range of human diseases. 

Prof. Dr. Su-Jane Wang
Guest Editor

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Keywords

  • natural compounds
  • isolation of bioactive compounds
  • bioactivity
  • bioinformatics
  • computational tools
  • health benefits

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Published Papers (5 papers)

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Research

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15 pages, 2620 KiB  
Article
Anti-Inflammatory Effects of Cycloheterophyllin on Dinitrochlorobenzene-Induced Atopic Dermatitis in HaCaT Cells and BALB/c Mice
by Chia-Chen Wang, Chien-Yu Hsiao, Yu-Jou Hsu, Horng-Huey Ko, Der-Chen Chang and Chi-Feng Hung
Molecules 2022, 27(9), 2610; https://doi.org/10.3390/molecules27092610 - 19 Apr 2022
Cited by 4 | Viewed by 3231
Abstract
Atopic dermatitis (eczema) is a condition that makes skin red and itchy. Though common in children, the condition can occur at any age. Atopic dermatitis is persistent (chronic) and tends to recur periodically. It may be accompanied by asthma or hay fever. No [...] Read more.
Atopic dermatitis (eczema) is a condition that makes skin red and itchy. Though common in children, the condition can occur at any age. Atopic dermatitis is persistent (chronic) and tends to recur periodically. It may be accompanied by asthma or hay fever. No cure has been found for eczema. Therefore, it is very important to develop ingredients that aid the prevention and treatment of atopic dermatitis. Cycloheterophyllin is derived from Artocarpus heterophyllus and has antioxidant and anti-inflammatory activities. However, it still is not understood whether cycloheterophyllin is an anti-atopic dermatitis agent. Keratinocytes (HaCaT cells) and BALB/c mice for inducing AD-like cutaneous lesions were used to evaluate the potential of cycloheterophyllin as an anti-atopic dermatitis agent. The release of pro-inflammatory cytokines induced by treatment of TNF-α/IFN-γ was reduced after pretreatment with cycloheterophyllin. The inhibitory effects could be a contribution from the effect of the MAP kinases pathway. Moreover, the symptoms of atopic dermatitis (such as red skin and itching) were attenuated by pretreatment with cycloheterophyllin. Epidermal hyperplasia and mast cell infiltration were decreased in the histological section. Finally, damage to the skin barrier was also found to recover through assessment of transepidermal water loss. Taken together, prenylflavone-cycloheterophyllin from Artocarpus heterophyllus is a potential anti-atopic dermatitis ingredient that can be used in preventing or treating the condition. Full article
(This article belongs to the Special Issue Natural Product Chemistry in Drug Discovery)
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12 pages, 5956 KiB  
Article
Kaempferol 3-Rhamnoside on Glutamate Release from Rat Cerebrocortical Nerve Terminals Involves P/Q-Type Ca2+ Channel and Ca2+/Calmodulin-Dependent Protein Kinase II-Dependent Pathway Suppression
by Tzu-Kang Lin, Chi-Feng Hung, Jing-Ru Weng, Ting-Yang Hsieh and Su-Jane Wang
Molecules 2022, 27(4), 1342; https://doi.org/10.3390/molecules27041342 - 16 Feb 2022
Cited by 6 | Viewed by 1873
Abstract
Excess synaptic glutamate release has pathological consequences, and the inhibition of glutamate release is crucial for neuroprotection. Kaempferol 3-rhamnoside (KR) is a flavonoid isolated from Schima superba with neuroprotective properties, and its effecton the release of glutamate from rat cerebrocortical nerve terminals was [...] Read more.
Excess synaptic glutamate release has pathological consequences, and the inhibition of glutamate release is crucial for neuroprotection. Kaempferol 3-rhamnoside (KR) is a flavonoid isolated from Schima superba with neuroprotective properties, and its effecton the release of glutamate from rat cerebrocortical nerve terminals was investigated. KR produced a concentration-dependent inhibition of 4-aminopyridine (4-AP)-evoked glutamate release with half-maximal inhibitory concentration value of 17 µM. The inhibition of glutamate release by KR was completely abolished by the omission of external Ca2+ or the depletion of glutamate in synaptic vesicles, and it was unaffected by blocking carrier-mediated release. In addition, KR reduced the 4-AP-evoked increase in Ca2+ concentration, while it did not affect 4-AP-evoked membrane potential depolarization. The application of selective antagonists of voltage-dependent Ca2+ channels revealed that the KR-mediated inhibition of glutamate release involved the suppression of P/Q-type Ca2+ channel activity. Furthermore, the inhibition of release was abolished by the calmodulin antagonist, W7, and Ca2+/calmodulin-dependent protein kinase II (CaMKII) inhibitor, KN62, but not by the protein kinase A (PKA) inhibitor, H89, or the protein kinase C (PKC) inhibitor, GF109203X. We also found that KR reduced the 4-AP-induced increase in phosphorylation of CaMKII and its substrate synapsin I. Thus, the effect of KR on evoked glutamate release is likely linked to a decrease in P/Q-type Ca2+ channel activity, as well as to the consequent reduction in the CaMKII/synapsin I pathway. Full article
(This article belongs to the Special Issue Natural Product Chemistry in Drug Discovery)
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14 pages, 7097 KiB  
Article
Inhibition of Glutamate Release from Rat Cortical Nerve Terminals by Dehydrocorydaline, an Alkaloid from Corydalis yanhusuo
by Tzu-Yu Lin, I-Yen Chen, Ming-Yi Lee, Cheng-Wei Lu, Kuan-Ming Chiu and Su-Jane Wang
Molecules 2022, 27(3), 960; https://doi.org/10.3390/molecules27030960 - 31 Jan 2022
Cited by 7 | Viewed by 3103
Abstract
Excessive release of glutamate induces excitotoxicity and causes neuronal damage in several neurodegenerative diseases. Natural products have emerged as potential neuroprotective agents for preventing and treating neurological disorders. Dehydrocorydaline (DHC), an active alkaloid compound isolated from Corydalis yanhusuo, possesses neuroprotective capacity. The [...] Read more.
Excessive release of glutamate induces excitotoxicity and causes neuronal damage in several neurodegenerative diseases. Natural products have emerged as potential neuroprotective agents for preventing and treating neurological disorders. Dehydrocorydaline (DHC), an active alkaloid compound isolated from Corydalis yanhusuo, possesses neuroprotective capacity. The present study investigated the effect of DHC on glutamate release using a rat brain cortical synaptosome model. Our results indicate that DHC inhibited 4-aminopyridine (4-AP)-evoked glutamate release and elevated intrasynaptosomal calcium levels. The inhibitory effect of DHC on 4-AP-evoked glutamate release was prevented in the presence of the vesicular transporter inhibitor bafilomycin A1 and the N- and P/Q-type Ca2+ channel blocker ω-conotoxin MVIIC but not the intracellular inhibitor of Ca2+ release dantrolene or the mitochondrial Na+/Ca2+ exchanger inhibitor CGP37157. Moreover, the inhibitory effect of DHC on evoked glutamate release was prevented by the mitogen-activated protein kinase (MAPK)/extracellular signal-regulated kinase (ERK) inhibitor PD98059. Western blotting data in synaptosomes also showed that DHC significantly decreased the level of ERK1/2 phosphorylation and synaptic vesicle-associated protein synapsin I, the main presynaptic target of ERK. Together, these results suggest that DHC inhibits presynaptic glutamate release from cerebrocortical synaptosomes by suppressing presynaptic voltage-dependent Ca2+ entry and the MAPK/ERK/synapsin I signaling pathway. Full article
(This article belongs to the Special Issue Natural Product Chemistry in Drug Discovery)
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11 pages, 2679 KiB  
Article
Naturally Available Flavonoid Aglycones as Potential Antiviral Drug Candidates against SARS-CoV-2
by Ahmed A. Al-Karmalawy, Mai M. Farid, Ahmed Mostafa, Alia Y. Ragheb, Sara H. Mahmoud, Mahmoud Shehata, Noura M. Abo Shama, Mohamed GabAllah, Gomaa Mostafa-Hedeab and Mona M. Marzouk
Molecules 2021, 26(21), 6559; https://doi.org/10.3390/molecules26216559 - 29 Oct 2021
Cited by 64 | Viewed by 3902
Abstract
Flavonoids are important secondary plant metabolites that have been studied for a long time for their therapeutic potential in inflammatory diseases because of their cytokine-modulatory effects. Five flavonoid aglycones were isolated and identified from the hydrolyzed aqueous methanol extracts of Anastatica hierochuntica L., [...] Read more.
Flavonoids are important secondary plant metabolites that have been studied for a long time for their therapeutic potential in inflammatory diseases because of their cytokine-modulatory effects. Five flavonoid aglycones were isolated and identified from the hydrolyzed aqueous methanol extracts of Anastatica hierochuntica L., Citrus reticulata Blanco, and Kickxia aegyptiaca (L.) Nabelek. They were identified as taxifolin (1), pectolinarigenin (2), tangeretin (3), gardenin B (4), and hispidulin (5). These structures were elucidated based on chromatographic and spectral analysis. In this study, molecular docking studies were carried out for the isolated and identified compounds against SARS-CoV-2 main protease (Mpro) compared to the co-crystallized inhibitor of SARS-CoV-2 Mpro (α-ketoamide inhibitor (KI), IC50 = 66.72 µg/mL) as a reference standard. Moreover, in vitro screening against SARS-CoV-2 was evaluated. Compounds 2 and 3 showed the highest virus inhibition with IC50 12.4 and 2.5 µg/mL, respectively. Our findings recommend further advanced in vitro and in vivo studies of the examined isolated flavonoids, especially pectolinarigenin (2), tangeretin (3), and gardenin B (4), either alone or in combination with each other to identify a promising lead to target SARS-CoV-2 effectively. This is the first report of the activity of these compounds against SARS-CoV-2. Full article
(This article belongs to the Special Issue Natural Product Chemistry in Drug Discovery)
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Review

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53 pages, 4188 KiB  
Review
A Comprehensive Update of Various Attempts by Medicinal Chemists to Combat COVID-19 through Natural Products
by Ayesha Rafiq, Tooba Jabeen, Sana Aslam, Matloob Ahmad, Usman Ali Ashfaq, Noor ul Amin Mohsin, Magdi E. A. Zaki and Sami A. Al-Hussain
Molecules 2023, 28(12), 4860; https://doi.org/10.3390/molecules28124860 - 20 Jun 2023
Cited by 6 | Viewed by 2506
Abstract
The ongoing COVID-19 pandemic has resulted in a global panic because of its continual evolution and recurring spikes. This serious malignancy is caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Since the outbreak, millions of people have been affected from December [...] Read more.
The ongoing COVID-19 pandemic has resulted in a global panic because of its continual evolution and recurring spikes. This serious malignancy is caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Since the outbreak, millions of people have been affected from December 2019 till now, which has led to a great surge in finding treatments. Despite trying to handle the pandemic with the repurposing of some drugs, such as chloroquine, hydroxychloroquine, remdesivir, lopinavir, ivermectin, etc., against COVID-19, the SARS-CoV-2 virus continues its out-of-control spread. There is a dire need to identify a new regimen of natural products to combat the deadly viral disease. This article deals with the literature reports to date of natural products showing inhibitory activity towards SARS-CoV-2 through different approaches, such as in vivo, in vitro, and in silico studies. Natural compounds targeting the proteins of SARS-CoV-2—the main protease (Mpro), papain-like protease (PLpro), spike proteins, RNA-dependent RNA polymerase (RdRp), endoribonuclease, exoribonuclease, helicase, nucleocapsid, methyltransferase, adeno diphosphate (ADP) phosphatase, other nonstructural proteins, and envelope proteins—were extracted mainly from plants, and some were isolated from bacteria, algae, fungi, and a few marine organisms. Full article
(This article belongs to the Special Issue Natural Product Chemistry in Drug Discovery)
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