Paolo Governa

Paolo Governa
Università degli Studi di Siena | UNISI · Department of Biotechnology, Chemistry and Pharmaceutical Sciences

PhD
In silico structure- and ligand-based approaches for the identification of bioactive compounds.

About

82
Publications
28,279
Reads
How we measure 'reads'
A 'read' is counted each time someone views a publication summary (such as the title, abstract, and list of authors), clicks on a figure, or views or downloads the full-text. Learn more
916
Citations
Introduction
Paolo Governa currently works at the Department of Biotechnology, Chemistry and Pharmacy, at the University of Siena. Paolo does research in drug discovery, and molecular modeling.
Additional affiliations
December 2021 - December 2022
Università degli Studi di Siena
Position
  • Postdoctoral researhcer
Description
  • Identification and development of novel rhodopsin pharmacological chaperones from natural sources, using in silico methods
January 2020 - July 2020
The Scripps Research Institute
Position
  • PhD Student
Description
  • In silico virtual screening for the discovery of new drug candidates from natural sources, at the Center for Computational and Structural Biology, Molecular Modeling & Drug Design Lab
January 2018 - February 2018
University of Padova
Position
  • PhD Student
Description
  • Development of in vitro models for the prediction of natural compounds permeability and for the analysis of natural products anti-inflammatory activity in in vitro models of intestinal epithelium using Caco-2 cells
Education
October 2017 - October 2020
Università degli Studi di Siena
Field of study
  • Chemical and Pharmaceutical Sciences
September 2015 - February 2016
Università di Pisa
Field of study
  • Computer-Aided Drug Design
November 2014 - January 2015
Università degli Studi di Siena
Field of study
  • Pharmacy

Publications

Publications (82)
Article
Hepatocellular carcinoma (HCC) is the most common type of liver solid tumor and the second leading cause of cancer-related deaths worldwide. Although new treatment options have been recently approved, the development of tumor resistance and the poor prognosis for advanced HCC make the current standard of care unsatisfying. In this scenario, the non...
Article
Full-text available
In the last decades, carbonic anhydrases (CAs) have become the top investigated innovative pharmacological targets and, in particular, isoforms IX and XII have been widely studied due to the evidence of their overexpression in hypoxic tumors. The frantic race to find new anticancer agents places the quick preparation of large libraries of putative...
Article
ATP-binding cassette (ABC) transporters are a large family of proteins involved in membrane transport of a wide variety of substrates. Among them, ABCB1, also known as MDR-1 or P-glycoprotein (P-gp),...
Article
Full-text available
Photoaffinity probes are routinely utilized to identify proteins that interact with small molecules. However, despite this common usage, resolving the specific sites of these interactions remains a challenge. Here we developed a chemoproteomic workflow to determine precise protein binding sites of photoaffinity probes in cells. Deconvolution of fea...
Preprint
Full-text available
ATP-binding cassette (ABC) transporters are a large family of proteins involved in membrane transport of a wide variety of substrates. Among them, ABCB1, also known as MDR-1 or P-glycoprotein (P-gp), is the most characterized. By exporting xenobiotics out of the cell, P-gp activity can affect the ADME properties of several drugs. Moreover, P-gp has...
Article
The prevalence of obesity is steadily rising, making safe and more efficient anti-obesity treatments an urgent medical need. Growing evidence correlates obesity and comorbidities, including anxiety and depression, with the development of a low-grade inflammation in peripheral and central tissues. We hypothesized that attenuating neuroinflammation m...
Article
In the present study, the antiviral activity of cannabinoids isolated from Cannabis sativa L. was assessed in vitro against a panel of SARS-CoV-2 variants, indicating cannabidiolic acid (CBDA) was the most active. To overcome the instability issue of CBDA, its methyl ester was synthesized and tested for the first time for its antiviral activity. CB...
Article
Full-text available
Helicobacter pylori (HP) is among the most common pathogens causing infection in humans worldwide. Oxidative stress and gastric inflammation are involved in the progression of HP-related gastric diseases, and they can be targeted by integrating conventional antibiotic treatment with polyphenol-enriched natural products. In this work, we characteris...
Article
Background: Even though numerous Histone deacetylase inhibitors (HDACi) have been approved for the treatment of different types of cancer, and others are in clinical trials for the treatment of neurodegenerative diseases, the main problem related to the clinical use of available HDACi is their low isoform selectivity which causes undesirable effect...
Article
Full-text available
In the last years, the medicinal plant Perilla frutescens (L.) Britton has gained scientific interest because leaf extracts, due to the presence of rosmarinic acid and other polyphenols, have shown anti-allergic and skin protective potential in pre-clinical studies. Nevertheless, the lack of standardized extracts has limited clinical applications t...
Article
Neuropathic pain (NP) is a chronic disease that affects the normal quality of life of patients. To date, the therapies available are only symptomatic and they are unable to reduce the progression of the disease. Many studies reported the efficacy of Cannabis sativa L. (C. sativa) on NP, but no Δ9‐tetrahydrocannabinol (Δ9‐THC)‐free extracts have bee...
Article
The purpose of this study was to evaluate the neuroprotective effect of a cannabidiol-enriched non-psychotropic Cannabis sativa L. extract (CSE) and its main constituents, cannabidiol and β-caryophyllene. An in vitro model of glutamate-induced neuronal excitotoxicity using SH-SY5Y cells was optimized. The impact of CSE on glutamate-impaired cell vi...
Poster
Receptor interacting protein kinase 1 (RIPK1) has emerged as a promising therapeutic target for the treatment of a wide range of human neurodegenerative, autoimmune, and inflammatory diseases. By modulating a type of programmed necrosis called necroptosis, RIPK1 was reported as a potential therapeutic target for ocular diseases, including glaucoma,...
Article
A virtual screening approach based on a five-feature pharmacophoric model for negative modulators of GLI1 was applied to databases of commercially available compounds. The resulting quinoline derivatives showed significant ability to reduce the GLI1 protein level and were characterized by submicromolar antiproliferative activity toward human melano...
Article
The serendipitous discovery of the HPPD inhibitors from allelopathic plants opened the way for searching new and effective herbicidal agents by application of classical hit-to-lead optimization approaches. A plethora of active and selective compounds were discovered that belong to three major classes of cyclohexane-based triketones, pyrazole-based...
Poster
Background: Tuberculosis (TB) took more than 1 million lives in 2020, being the second cause of death from a infectious disease just behind COVID-19. In the past decades, there has been an emergence of multidrug-resistant M. tuberculosis strains. Drug-resistant TB accounts for one third of the worldwide deaths attributed to antimicrobial resistant...
Article
Full-text available
Cannabis sativa L. is increasingly emerging for its protective role in modulating neuroinflammation, a complex process orchestrated among others by microglia, the resident immune cells of the central nervous system. Phytocannabinoids, especially cannabidiol (CBD), terpenes, and other constituents trigger several upstream and downstream microglial i...
Article
Full-text available
This study focused on the biological evaluation and chemical characterization of a new ingredient obtained by in vitro cell culture of Rhus coriaria L. An in vitro plant cell culture method permits to cultivate plant in a short period of time and to obtain extract with a high safety profile for the consumer, free from heavy metals, pesticides, afla...
Article
Full-text available
Avermectins are macrocyclic lactones with anthelmintic activity. Recently, they were found to be effective against Mycobacterium tuberculosis, which accounts for one third of the worldwide deaths from antimicrobial resistance. However, their anti-mycobacterial mode of action remains to be elucidated. The activity of selamectin was determined agains...
Article
Full-text available
The stability of tea phenolic compounds is influenced by pH value and digestive processes. However, the complex mixture of constituents in tea may modulate the stability of these compounds during digestion. In this study, tea infusions obtained from green, black, and Oolong tea leaves were exposed to in vitro simulated gastrointestinal digestion, a...
Preprint
Full-text available
Avermectins are macrocyclic lactones with anthelmintic activity. Recently, they were found to be effective against Mycobacterium tuberculosis, which accounts for one third of the worldwide deaths from antimicrobial resistance. However, their anti-mycobacterial mode of action remains to be elucidated. The activity of selamectin was determined agains...
Article
Current therapeutic armamentarium for treatment of HIV-1 infection is based on the use of highly active antiretroviral therapy that, unfortunately, does not act as a curative remedy. Moreover, duration of the therapy often results in lack of compliance with the consequent emergence of multidrug resistance. Finally, drug toxicity issues also arise d...
Poster
ATP-binding cassette (ABC) transporters are a large family of proteins involved in membrane transport of a wide variety of substrates. Among them, ABCB1, also known as MDR-1 or P-glycoprotein (P-gp), is the most characterized. By exporting xenobiotics out of the cell, P-gp activity can affect the ADME properties of several drugs. Moreover, P-gp has...
Poster
Helicobacter pylori (HP) is among the most common pathogens causing infection in human worldwide. Oxidative stress and gastric inflammation are involved in the progression of HP-related gastric diseases, and can be targeted by integrating the conventional antibiotic treatment with polyphenol-enriched natural products. In this work, we have characte...
Article
The progress made so far in the elucidation of the structure of free fatty acid receptor 1 (FFAR1) and its secondary and ternary complexes with partial and full allosteric ligands led to the discovery of various putative binding regions on the FFAR1 surface. Attempts to develop FFAR1 agonists culminated with the identification of TAK-875 (1), whose...
Article
Objectives: The exposure of neurons to an excessive excitatory stimulation induces the alteration of the normal neuronal function. Mood disorders are among the first signs of alterations in the central nervous system function. Magnolia officinalis bark extract has been extensively used in the traditional medicine systems of several countries, show...
Article
Full-text available
The relevance and incidence of intestinal bowel diseases (IBD) have been increasing over the last 50 years and the current therapies are characterized by severe side effects, making essential the development of new strategies that combine efficacy and safety in the management of human IBD. Herbal products are highly considered in research aimed at...
Thesis
Plants are the source of wide variety of molecules with potential therapeutic application. More than 80 percent of the world population still relies on traditional medicine systems, which are mostly based on herbal remedies. Furthermore, about 35 percent of the currently available medicines have been developed using natural products as a lead compo...
Article
Wound healing represents an urgent need from the clinical point of view. Several diseases result in wound conditions which are difficult to treat, such as in the case of diabetic foot ulcer. Starting from there, the medicinal research has focused on various targets over the years, including GPCRs as new wound healing drug targets. In line with this...
Article
Background Current therapies for neuropathic pain are generally symptomatic and possess several side effects, limiting their prolonged usage. Hypothesis/Purpose Thus, it is urgent to develop novel and safe candidates for the management of this chronical condition. For this purpose, we investigated the analgesic effect of a standardized extract fro...
Poster
ATP-binding cassette (ABC) transporters are a large family of proteins involved in membrane transport of a wide variety of substrates. Among them, ABCB1, also known as MDR-1 or P-glycoprotein (P-gp), is the most characterized. By exporting xenobiotics out of the cell, P-gp activity can affect the ADME properties of several drugs. Moreover, P-gp has...
Article
Full-text available
Mood disorders represent one of the most prevalent and costly psychiatric diseases worldwide. The current therapies are generally characterized by several well-known side effects which limit their prolonged use. The use of herbal medicine for the management of several psychiatric conditions is becoming more established, as it is considered a safer...
Article
Background: Inflammatory bowel disease (IBD) is an inflammatory condition of the gastrointestinal tract, characterized by chronic and relapsing immune system activation, often diagnosed in adolescence, with a rising incidence in pediatric populations. IBD results from altered interactions between gut microbes and the intestinal immune system which...
Article
Full-text available
The winemaking process produces a huge number of pomaces that generally are used for energy purposes. Further valuable applications such as health-promoting properties are still under investigation. The seeds of the white berries of Mantonico and Pecorello cv. were extracted in a Soxhlet apparatus, using n-hexane and chloroform as solvents. Extract...
Article
Background: Rhodiola rosea L. (Crassulaceae) has been used for years in the traditional medicine of several countries as an adaptogen drug, able to preserve homeostasis in response to stress stimuli. Currently R. rosea roots and rhizome are classified as a traditional herbal medicinal product for temporary relief of symptoms of stress, such as fati...
Article
Full-text available
Inflammatory bowel disease and food allergies are a growing topic in the field of nutrition science. Polyphenols, which are the most important secondary metabolites of plants, demonstrated to modulate the expression and/or production of numerous proteins, but also to regulate the intestinal ecosystem. In this context, our aim was the investigation...
Article
Copaifera langsdorffii Desf. has been used in the traditional medicine of Brazil for centuries to treat a wide range of conditions, including infections, wounds and inflammation. The aim of this study is to compare the effects of C. langsdorffii bark oleoresin and a methanolic extract of the fruit for their anti-Helicobacter pylori (HP) activity an...
Article
Recent studies propose non-psychotropic Cannabis sativa L. as a candidate drug having a role in the pathogenic mechanisms involved in inflammation [1]. In order to evaluate the biological effect of a chemically standardized extract of C. sativa var. carmagnola dried female inflorescences (CSE) and its main constituents, the purpose of this study wa...
Poster
The use of natural products as pharmaceutical tools is widely developing [1]. Even though their increasing popularity, the pharmaceutical applications of herbal products are limited by the shortage of clinical trials and by the inadequate knowledge of their pharmacokinetics [2]. Today, a large number of experimental models is available for investig...
Article
Full-text available
Bee propolis, especially Euro-Asian poplar propolis, is among the most well-known natural products traditionally used to treat pharyngitis and minor wounds. The aim of this research was to investigate the pharmacological properties responsible for poplar propolis effectiveness using, for the first time, different in vitro approaches applied to a ch...
Article
Full-text available
The hybrid molecule Quercetin‐3‐oleate (AV2), accommodates within the binding pocket for allosteric full GPR40 agonists. AV2 endorses skin wound healing acting as a promoter of keratinocytes proliferation and overcomes immunosuppressive conditions in vitro. AV2 stimulated HaCaT wound healing by 51% compared to the untreated control, at the concentr...
Poster
The interest in Cannabis sativa L. (Cannabaceae) phytocomplex as a medicinal tool is a recently-emerging topic. Δ9-tetrahydrocannabinol (THC), the major psychotropic constituent, has been characterized for its analgesic, antispasmodic and antiemetic activity. Cannabidiol (CBD), the major non-psychotropic constituent, instead, has elicited interest...
Poster
Ginger (Zingiber officinale Roscoe) is a flowering plant, belonging to the family of Zingiberaceae, which is frequently used as a spice. The dried rhizome, which contains mainly essential oil, gingerols and shogaols, has been used in traditional medicine as an antiemetic drug, in the management of gastrointestinal complaints and as an anti-inflamma...
Poster
Neurodegenerative diseases are characterized by the progressive loss of nervous system functions. Inflammation, oxidative stress, altered neurotrophins levels and impaired synaptic transmission are among the most common event involved in neurodegenerative diseases. The interest in Cannabis sativa L. phytocomplex as a medicinal tool is a recently-em...
Poster
Ginger (Zingiber officinale Roscoe) is a flowering plant, belonging to the family of Zingiberaceae, which is frequently used as a spice. The part of the plant of pharmacological interest is represented by the dried rhizome, which contains mainly essential oil, gingerols and shogaols. In traditional medicine, ginger has been used as an antiemetic dr...
Article
The interest in Cannabis sativa L. phytocomplex as a medicinal tool is a recently-emerging topic. Neurodegenerative diseases represent a promising field of application for cannabis and its preparations, as most of this pathologic conditions relies on an inflammatory etiology. Several cannabis constituents display anti-inflammatory effects targeting...
Article
Full-text available
The healing of skin wounds and particularly chronic wounds, such as diabetic foot ulcers, is still a clinical emergency. Despite the many therapeutic tools that are available so far, none seems to be really effective and safe. In this context, we highlighted the renewed wound healing activity of honey, a viscous aromatic and sweet food, by way of i...
Article
Full-text available
Background: Inflammatory bowel diseases (IBD), are considered a growing global disease, with about ten million people being affected worldwide. Maintenance of intestinal barrier integrity is crucial for preventing IBD onset and exacerbations. Some recent patents regarding oily formulations containing probiotics (WO2010122107A1 and WO2010103374A9)...
Presentation
Peripheral neuropathic pain is a severe chronic pain condition characterised by damage on the somatosensory system. Hyperalgesia and allodynia are the most representative symptoms of this pathology. Nevertheless, the current analgesic therapies used for the treatment of neuropathic pain are still unsatisfying. Zingiber officinale Roscoe is known in...
Poster
Today the pharmaceutical interest in herbal products is widely developing. Even though their popularity, the pharmaceutical applications of herbal products are limited by the lack of clinical trials and by the inadequate knowledge of their pharmacokinetics. Currently, a large number of experimental models is available for investigating the pharmaco...
Article
Full-text available
Sedum genus includes more than 400 different species, many of which having ethnobotany interest. The skin healing is one of the most common therapeutic indication of Sedum spp. In this work, for the first time, we compared five different Sedum species grown in two sites of community importance in Emilia Romagna (Italy): Sedum acre L., Sedum album L...
Article
Full-text available
Inflammatory bowel diseases, which consist of chronic inflammatory conditions of the colon and the small intestine, are considered a global disease of our modern society. Recently, the interest toward the use of herbal therapies for the management of inflammatory bowel diseases has increased because of their effectiveness and favourable safety prof...
Preprint
Full-text available
Inflammatory bowel diseases, which consist of chronic inflammatory conditions of the colon and the small intestine, are considered a global disease of our modern society. Recently, the use of herbal therapies has increased in patients with inflammatory bowel diseases because of their effectiveness and better safety profile, compared to conventional...
Poster
Full-text available
Calluna vulgaris (L.) Hull. (Ericaceae) is a perennial shrub common in Italy and in many European countries, found both in plains and in hilly and mountainous areas. In ethnobotany and in phytoherapy, C. vulgaris aerial parts decoction is used for urinary complaints and as antimicrobial; furthermore C. vulgaris is also one of the 38 Bach Flowers an...
Article
Full-text available
Phytotherapy has long been a source of medicinal products and over the years there have been many attempts to use herbal medicines for the treatment of diabetes. Several medicinal plants and their preparations have been demonstrated to act at key points of glucidic metabolism. The most common mechanisms of action found include the inhibition of α-g...
Preprint
Full-text available
Phytotherapy has long been a source of medicinal products and many attempts to use herbal medicine for the treatment of diabetes has been done over the years. Several medicinal plants and their preparations demonstrated to act in key points of glucidic metabolism. The most common mechanisms of action found include the inhibition of α-glucosidase an...
Preprint
Full-text available
Maintenance of intestinal barrier integrity is crucial for preventing inflammatory bowel 15 diseases (IBDs) onset and exacerbations. In this work we study the effect of a fixed combination of 16 Lactobacillus reuteri and Lactobacillus acidophilus and herbal extracts in an in vitro inflammation 17 experimental model. Caco-2 cell monolayer was expose...
Preprint
Full-text available
Phytotherapy has long been a source of medicinal products and many attempts to use herbal medicine for the treatment of diabetes has been done over the years. Several medicinal plants and their preparations demonstrated to act in key points of glucidic metabolism. The most common mechanisms of action found include the inhibition of α-glucosidase an...
Poster
Full-text available
Calluna vulgaris Hull is known in the ethnobotany of many European countries and its flowering parts are used mostly as a decoction in the treatment of urinary tract complaints. Modern scientific literature lacks important studies on the properties of the species and its preparations; we have decided, therefore, to deepen the knowledge of this medi...
Poster
Full-text available
Brazil has one of the richest biodiversity in the world, with more than 210000 species described (1). Several ethnobotany studies have been conducted, particularly in the North East region (2, 3). Despite a marked reduction in the mortality rate, infectious diseases still represent a serious problem for public health in Brazil (4). Copaifera langsd...
Article
Full-text available
Phytotherapy plays an important role in wound healing. Medicinal plants have represented for thousands of years the only remedy for wound care, and still maintain an important therapeutic role thanks to peculiar and desirable features of plant phytocomplexes. The use of herbal preparations exploiting synergistic and multitasking activities is disti...
Poster
Full-text available
Today’s main cosmetic goals are continuous innovation and rational analysis of functional substances. Following this aims, cosmetics is approaching phytotherapy, in order to allow plants with tradition of use and effectiveness to be proposed in the cosmetics sector. From the desire to develop and enhance a territorial scientific research in the fie...
Presentation
Full-text available
Introduction. Phytocannabinoids are cannabinoids that occur naturally in the cannabis plant. Literature focused on cannabidiol (CBD), a major non-psychotropic constituent of cannabis; which shows diverse biological activities, particularly as an anti-inflammatory agent. In addition, Cannabis sativa L. contains terpenoids and flavonoids. The potenti...
Article
Full-text available
Benign prostatic hyperplasia is a common disease in men aged over 50 years old, with an incidence increasing to more than 80% over the age of 70, that is increasingly going to attract pharmaceutical interest. Within conventional therapies, such as α-adrenoreceptor antagonists and 5α-reductase inhibitor, there is a large requirement for treatments w...
Article
Full-text available
The Italian herbal products market is the most prosperous in Europe. The proof is represented by the use of these products in several marketing categories, ranging from medicine to nutrition and cosmetics. Market and legislation in Italy are at the same time cause and consequence of this peculiar situation. In fact, the legislation on botanical foo...
Preprint
Full-text available
Benign prostatic hyperplasia is a common disease in men aged over 50 years old, with an incidence increasing to more than 80% over the age of 70, that is increasingly going to attract pharmaceutical interest. Within conventional therapies, such as α-adrenoreceptor antagonists and 5α-reductase inhibitor, there is a large requirement for treatments w...
Preprint
Full-text available
Benign prostatic hyperplasia is a common disease in men aged over 50 years old, with an incidence increasing to more than 80% over the age of 70, that is increasingly going to attract pharmaceutical interest. Within conventional therapies, such as α-adrenoreceptor antagonists and 5α-reductase inhibitor, there is a large requirement for treatments w...
Poster
Full-text available
Sedum telephium L. is one of those species that have received the attention of scientific research many years after its clinical use that derived from centuries of tradition and descriptions provided by various ancient medical texts. Although it has been mostly cultivated for ornamental use, it was also widely mentioned in the Italian ethno-botany....
Article
Full-text available
Phytotherapy plays an important role in wound healing. Medicinal plants have represented for thousands of years the only remedies for wound care, and until nowadays maintain a very important role thanks to peculiar and desirable features the plant phytocomplex possess. The use of herbal preparations that exploit synergistic and multitasking activit...
Conference Paper
Full-text available
Phytotherapy plays an important role in wound healing. Medicinal plants have represented for thousands of years the only remedy for wound care, and still maintain an important therapeutic role thanks to peculiar and desirable features of plant phytocomplexes. The use of herbal preparations exploiting synergistic and multitasking activities is disti...