Experimental and theoretical study of the structural features of Vismodegib molecule

This article discusses the characterization with theoretical and experimental basis of Vismodegib, providing a thorough insight knowledge of the drug itself. The energy of the structure was minimized employing a commercial code, and different approaches were used to determine the bond distances and hyperconjugative interactions. The information obtained by theoretical calculation was correlated with experimental data of vibrational spectroscopies: FTIR and Raman. The main vibrational modes were theoretically evaluated and correlated with experimental data.Graphical abstract
Source: Journal of Molecular Structure - Category: Molecular Biology Source Type: research

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Publication date: Available online 14 January 2020Source: Life SciencesAuthor(s): Siyan Liao, Cecilia Floyd, Nicholas Verratti, Lauren Leung, Chun WuAbstractAimsVismodegib is an effective antagonist of smoothened receptors for treatment of locally advanced or metastatic basal cell carcinoma. However, it often suffers from drug resistance due to mutations. Two common mutants, D4736.55G and W5357.55L, were found to cause serious drug resistance. Although the reduction of drug binding affinity (~40-fold) was thought to be the major reasons, the detailed structural, energetic and dynamic mechanisms at the molecular level are s...
Source: Life Sciences - Category: Biology Source Type: research
This article therefore provides an extensive current literature review from PubMed including the current guidelines and standard operating procedures (SOP). As 90% of basal cell carcinomas have a pathologic activation of the sonic hedgehog pathway, vismodegib is a new treatment option for inoperable or metastatic basal cell carcinoma and for patients with Gorlin-Goltz syndrome. A novel approach of systemic medicine for the treatment of metastatic Merkel cell carcinoma is immunotherapy using the immune checkpoint inhibitor avelumab. Other personalized immunotherapies, such as the checkpoint inhibitors pembrolizuma...
Source: Der Ophthalmologe - Category: Opthalmology Authors: Tags: Ophthalmologe Source Type: research
The European interdisciplinary guidelines on the diagnosis and treatment of basal cell carcinoma (BCC) are a thorough updated and expanded review of the literature [1]. The guidelines provide guidance for physicians to optimise BCC care. We strongly agree with emphasising personalised care and an individualised approach for each patient and tumour. In addition, we would like to comment on the extensive safety margins advised for conventional (2D) surgical excision of high-risk BCCs and the proposed frequent follow-up of patients with a history of BCC.
Source: European Journal of Cancer - Category: Cancer & Oncology Authors: Tags: Editorial Comment Source Type: research
We present the case of a male patient with BCC located in the chest, measuring 10 cm and with an evolution of 15 years. After several years, an axillary recurrence developed as a tumor mass affecting the lymph nodes. After 14 months, a further lymph node recurrence was observed and resected. Six months later, a pulmonary nodule was detected, which was resected with tumor-free margins. Histopathological report revealed infiltration by BCC. After 13 years of follow-up (after the removal of the primary tumor), the patient remained alive and received close clinicoradiological monitoring. Taking advantage of this opportunity, w...
Source: Indian Journal of Dermatology - Category: Dermatology Authors: Source Type: research
SAN FRANCISCO– January 8, 2020– PellePharm, Inc., a BridgeBio Pharma, Inc. (Nasdaq: BBIO) company, today announced it has dosed the first two participants in a Phase 2 clinical trial of Patidegib Topical Gel, 2%, vs. vehicle gel...
Source: Drugs.com - Clinical Trials - Category: Pharmaceuticals Source Type: clinical trials
Abstract Keratinocyte carcinomas (KC) are the most common malignant human neoplasms. Although surgery and destructive approaches are first-line treatments, topical therapies are commonly used. Due to limited uptake of topical agents across the skin barrier, clearance rates are often sub-optimal. In pre-clinical investigations, ablative fractional laser (AFL)-assisted drug delivery has demonstrated improved uptake of topical drugs commonly used to treat KC. In 22 clinical trials, the effect of AFL-assisted treatments has been investigated for actinic keratosis (AK; n = 14), Bowen's disease (BD; n = 5), squa...
Source: Advanced Drug Delivery Reviews - Category: Drugs & Pharmacology Authors: Tags: Adv Drug Deliv Rev Source Type: research
Abstract Vismodegib (VMD) is a hedgehog inhibitor which indicated for basal cell skin cancer (BCC). This work focuses on investigating the influence of isopropyl alcohol additive for topical delivering and targeting of VMD-loaded binary ethosomes for BCC treatment. Different binary ethosome formulae were prepared based on Box-Behnken design using different concentrations of phospholipid (A), cholesterol (B) and isopropyl alcohol/total alcohol ratio (C). The prepared formulae were characterized for %entrapment efficiency (R1), vesicle size (R2), %release (R3) and steady-state flux (R4). Increasing A, B and C result...
Source: AAPS PharmSciTech - Category: Drugs & Pharmacology Authors: Tags: AAPS PharmSciTech Source Type: research
Louise Thorell, from Ashington in Northumberland, developed basal cell carcinoma and needed three surgeries to remove all the cancer from her right cheek.
Source: the Mail online | Health - Category: Consumer Health News Source Type: news
This report reminds us to pay close attention to the likelihood of giant porokeratosis. The physicians should explore all clinical possibilities to avoid misdiagnosis of this rare disease. Although the recurrence rate of SCC arising from giant PM is very low, the surgical resection region should be expanded appropriately such as the en-block resection.
Source: Medicine - Category: Internal Medicine Tags: Research Article: Clinical Case Report Source Type: research
The recommendations defined when and how radiation therapy should be used to treat patients with basal cell carcinoma and cutaneous squamous cell carcinoma.
Source: CancerNetwork - Category: Cancer & Oncology Authors: Source Type: news
More News: Basal Cell Carcinoma | Cancer & Oncology | Carcinoma | Molecular Biology | Skin Cancer | Study