Medicinal-Pharmaceutical Chemistry Commons^™

Solvent-Free Ball-Milling Synthesis Of 1,2-Disubstituted Benzimidazoles, Zachary A. Jaffery, Katherine E. Christopher, Kyle A. Grice

DePaul Discoveries

The search for sustainability in chemistry has led to the development of the field of Green Chemistry, comprised by 12 guiding principles. Existing syntheses of benzimidazoles, a heterocycle widely used in medicinal chemistry, utilize methods with much room for improved sustainability. This work presents a solventless mechanochemical synthesis of 1,2-disubsituted substituted benzimidazoles from the condensation of phenylenediamines and aryl aldehydes. The effect of milling aid on yield and selectivity was investigated and montmorillonite K10 was determined to be the best milling aid. The purification protocol was optimized as well, with a heptane:EtOAc extraction and subsequent recrystallization from EtOH found to …

Synthesis, Structural Elucidation, In Vitro Antibacterial Activity Of Mononuclear Ag(I) Complex Derived From (E)-N-(4-Fluorophenyl)-1-(Pyridin-2-Yl) Methanimine And Triphenylphosphine Ancillary Ligand., Olufemi Stephen Odulaja, Saliu Alao Amolegbe, Muritala Adeniyi Olusola

Tanzania Journal of Science

Chemo-therapeutic application of metal complexes to remediation and subjugation of emerging infectious diseases with a view to improving potency and efficacy of a variety of drugs is gaining more momentum, especially in the 21st century. This research work designed a new biologically active complex [AgL(PPh3)2]NO3,C, obtained from the reaction of Ag(I) nitrate with bidentate pyridinyl Schiff base ligand (E)-N-(4-fluorophenyl)-1-(pyridin-2-yl) methanimine L, with triphenylphosphine (PPh3) as co-ligand. Characterisation was done by FT-IR, UV-Vis, NMR, (TGA/DTA), X-ray crystallography, and elemental analysis. The combined effects of pyridinyl Schiff base ligand and PPh3 on the antibacterial activities against Staphylococcus aureus, Escherichia coli, Klebsiella pneumonia, …

Physicochemical, Pharmacognostic Standardisation And Phytochemical Analyses Of The Homoeopathic Drug Justicia Adhatoda, Bibaswan Biswas, Satish Patel, Digvijay Verma, Satyajit Maity, Shilpi Singh, Paulami Majumdar, Narasimha Kumar Gv

Indian Journal of Research in Homoeopathy

Background: Justicia adhatoda (J. adhatoda), also well known as Vasaka in India is a medicinal plant chiefly used to treat respiratory ailments in traditional and alternative medical systems. Objective: This study aimed to establish the physicochemical, pharmacognostic, and phytochemical standardisation parameters of the drug. The study involved the measurement of physicochemical parameters and chemical profiling of the raw drug. The chemical characteristics of the in-house mother tincture (prepared from in-house raw drug) and commercial mother tinctures available in India were also evaluated to assess the quality of commercially available mother tinctures. Materials and Methods: The present study …

Synthesis And Characterization Of Water Soluble Thiosemicarbazone-Alkylthiocarbamate Ligands And Their Cu(Ii) Complexes, John J. Garvey Iv, Sanjit Karki, Haixun Guo, Levi J. Beverly, Craig A. Grapperhaus, Robert M. Buchanan

The Cardinal Edge

Thiosemicarbazone-alkylthiocarbamate N₂S₂ hybrid ligands are emerging as an important class of potential bioactive molecules that possess important pharmacokinetic properties. Resulting metal complexes have electronic properties that are composites of their homolog forms, bis-thiosemicarbazones and bis-alkylthiocarbamates, allowing for tuning redox potentials over a nearly 450 mV range. These versatile ligand frameworks possess remarkable antiproliferation activity against a broad range of solid tumors and low toxicity towards normal cells¹ indicating great promise for future drug development. Herein, we describe recent synthetic efforts to improve water solubility of thiosemicarbazone-alkylthiocarbamate hybrid ligand Cu(II) complexes. The parent 4-methyl-3-thiosemicarbazide half arm was …

Microencapsulation Of Cosmos Caudatus Kunth Extract Using Sodium Alginate And In Vitro Antioxidant Activity Test, Safina Samara Nur Fadlila, Oktavia Eka Puspita, Zubaidah Ningsih, Anna Safitri

Makara Journal of Science

This study aims to encapsulate Cosmos caudatus K. leaf extract in sodium alginate crosslinked with calcium chloride (CaCl₂) as coating materials through freeze-drying. Antioxidant assays were performed to evaluate the applicability of the microcapsules as antidiabetic medicines. Their characteristics, antioxidant activity, and encapsulation efficiency (EE) were also examined. Results indicated that the concentration of sodium alginate and pH influenced the manufacturing process of the microcapsules. The highest EE was obtained at pH 6 and alginate concentration of 2% (w/v). The IC₅₀ for the antioxidant activity of the microcapsules was 139.96 ± 1.094 μg/mL. Scanning electron microscopy confirmed …

Nanoparticles As Antioxidant Agents: A Comprehensive Review, Sulyman Olalekan Ibrahim, Halimat Yusuf Lukman, Fatimat Ronke Abdulkadir, Monsurat Yemisi Bello, Yusuf Oloruntoyin Ayipo, Halimah Funmilayo Babamale, Marili Funmilayo Zubair, Olubunmi Atolani

Al-Bahir

This study seeks to provide a comprehensive overview of the latest progress in the antioxidant properties of nanoparticles. Nanoparticles (NPs) have emerged as a promising tool in several domains of science and industry, including their application as antioxidant agents. The main knowledge gaps seem to be in correctly identifying the make-up of the naturally occurring phytochemicals that give these nano-antioxidants their extraordinary pharmacology and drug-like properties. In many instances, that characterization is done using spectroscopy instrumentation such as fourier-transform Infrared (FT-IR), scanning electron microscope (SEM), and X-ray diffraction analysis (XRD). From literature appraisals, it was discovered that a lot of …

Ipq Descriptor

Level 3

No abstract provided.

Balancing Quality Assurance & Innovation In Pharma, Emma Ramnarine

Level 3

At the Pharmaceutical Regulatory Science Team (PRST) workshop on ICH Q9(R1), held at the Technological University Dublin in early June 2023, Boehringer Ingelheim US Biopharma Operations Product Management & Development Operations Head Emma Ramnarine shared her insights on balancing quality assurance and innovation in pharmaceutical manufacturing. She addressed: ● patient-centered transformation ● a watershed moment in her career ● understanding the drug shortage problem ● disruptive collaboration, and ● systems thinking

approaches. Click here for the slides accompanying Ramnarine’s remarks. She connected some of her remarks for the pharmaceutical industry to those made in the previous talk by Ed Hoffman, …

Quality Reborn, Anders Vinther

Level 3

It is time for Quality leaders to not only fulfill the traditional role of ensuring cGMP compliance within the company but also take the Quality profession to the level of business leadership like Deming did in Japan after World War II. FDA has recently stated that they have low confidence in quality management maturity of the pharmaceutical industry.

For quality leaders to also become good business leaders we must educate them in ways that are different from what we currently do. The education should be in the 6 areas

• Visibly Demonstrating Responsibility of Quality
• Risk-Informed Decision Making and Communication
• Engaging …

Risk-Based Decision-Making – Using Knowledge Of Risk Throughout The Lifecycle, Michael Schousboe

Level 3

This article is based on a presentation given at the event ICH Q9(R1): The Next Frontier hosted by TU Dublin, Grangegorman 01-June-2023

An audience with international thought leaders exploring how the effective use of knowledge can enhance QRM outcomes to benefit the patient

Achieving Warranted Acceptance Of Biotechnologies, Emily Grayek, Baruch Fischhoff

Level 3

The U.S. has faced long-standing shortages of generic drugs, causing negative health effects and spikes in drug costs. To address these shortages, investments in critical technologies and policies to support their adoption will be needed. The success of these technologies and policies depends on public acceptance. We studied public acceptance using the mental model approach, which identifies gaps in understanding that can be addressed with communications. We began with semi-structured interviews with experts in pharmaceutical manufacturing. Based on these interviews, we developed and conducted surveys of the general public, physicians, and pharmacists. Similar strategies could be applied to improve communications …

Exploring The Role Of Knowledge In The Pharma Workplace Of The Future: An Interactive Workshop Exploring Culture, Km And Opex, Stephanie Friedrichsen, Nuala Calnan (Editor), Martin J. Lipa

Level 3

This article presents a summary of an interactive workshop facilitated by Nuala Calnan and Stephanie Friedrichsen during the conference: ‘ICH Q9(R1): The Next Frontier’ held in Technological University Dublin, Ireland, on 1 June 2023. The summary was prepared by the workshop facilitators in conjunction with Martin Lipa who was a participant at the workshop. The article is written to give a high-level overview of the discussions which took place during the workshop and is not intended to be a complete representation of all the activities, insights and findings.

Hpra’S Kevin O’Donnell On The Ich Q9 Revision And Considerations For Its Implementation, Kevin O'Donnell

Level 3

At the June 2023 PRST meeting on the ICH Q9 revision, HPRA Market Compliance Manager and Senior GMP Inspector Kevin O’Donnell, who has been serving as rapporteur for ICH Q9 (R1), addressed the changes introduced in the revision, the practicalities of implementation, and his “personal thoughts” on the implementation process. Click here for ICH Q9(R1) with the changes highlighted by O’Donnell, and here for the slides accompanying O’Donnell’s remarks. Formatting

changes and other minor edits have been made for clarity by IPQ. Expressions of thanks to the meeting organizers/attendees and disclaimers that the presentation represents the speaker’s views and not …

Leveraging Advanced Analytics In The Pharmaceutical Industry, Patrick O'Sullivan

Level 3

This article is a transcribed and lightly edited version of Patrick O’Sullivan’s oral presentation to a seminar hosted on 1 June 2023 by the Pharmaceutical Regulatory Science Team (PRST), TU Dublin, titled ICH Q9(R1): The Next Frontier – An audience with international thought leaders exploring how the effective use of knowledge can enhance QRM outcomes to benefit the patient. Patrick presented an overview of how one could leverage advanced analytics in the pharmaceutical Industry.

Agenda From June 1st Conference

Level 3

No abstract provided.

Valerie Mulholland On Improving Rbdm Effectiveness, Valerie Mulholland

Level 3

No abstract provided.

Speaker Bios

Level 3

No abstract provided.

Ipq Bibliography Pac Km Qrm 2010 - 2023

Level 3

No abstract provided.

Industry/Regulator Dialogue On Knowledge Management Is Intensifying In Wake Of Ich’S Q12 Initiative, ( Ipq )

Level 3

No abstract provided.

Introducing Research Collaboration And Gmp Human Resource Development At Three Universities With Gmp Laboratories In Japan, Shingou Sakurai, Osamu Hiruta, Ryoko Naruse

Level 3

This paper summarises initiatives presented on June 1^st 2023 at a seminar during a visit to Technological University Dublin. The authors travelled from 3 universities in Japan to share some of the collaborative research, education and training initiatives developed by them,

In their presentation the authors gave an overview of the current situation of Knowledge Management and Quality Culture in Japan, highlighting some recent issues and challenges, and presented some initiatives under development to specifically address these challenges.

Preface, Anne Greene, Martin Lipa, Bill Paulson

Level 3

No abstract provided.

Regulators Are Exploring With Industry How To Strengthen Quality Risk Management Practices, With Revision Of Ich Q9 A Key Focal Point, ( Ipq )

Level 3

No abstract provided.

Links To Prst Past Monographs And Level 3 Special Editions

Level 3

No abstract provided.

An Insight Into The Physicochemical, Drug-Likeness, Pharmacokinetics And Toxicity Profile Of Kigelia Africana (Lam) Bioactive Compounds, Sulyman Olalekan Ibrahim, Halimat Yusuf Lukman, Marili Funmilayo Zubair, Oluwagbemiga Tayo Amusan, Fatimah Ronke Abdulkadri, Bashir Lawal, Lateefat Bello Abdulfatah, Olubunmi Atolani

Al-Bahir

Kigelia africana plant is multipurpose plant whose therapeutic potential has been thoroughly investigated. The physicochemical, solubilities, ADMET, pharmacological, and drug-like properties of this plant have not been reported in details. This study makes use of the information that is currently known on the chemical make-up of the plant to forecast its overall toxicity as well as the potential for the phytochemicals it contains to be employed in medication discovery. The study also employed free web servers for the lipophilicity, water solubility, drug-likness, bioavailability score, medicinal chemistry and toxicological profiling of the compounds of K. africana. Artemether, a known antimalaria …

Co-Microencapsulation Of Ruellia Tuberosa L. And Cosmos Caudatus K. Extracts For Pharmaceutical Applications, Choirin Annisa, Sasangka Prasetyawan, Anna Safitri

Makara Journal of Science

This study aims to co-microencapsulate the Ruellia tuberosa L. and Cosmos caudatus K. extracts, with chitosan–sodium tripolyphosphate (Na-TPP) as coating material. α-Amylase inhibition and antioxidant assays were conducted to determine the potential of microcapsules used as antidiabetic agents. The microcapsules were manufactured under the influences of pH, Na-TPP concentration, and stirring time. The optimum microencapsulation conditions were selected based on the highest encapsulation efficiency. The optimum microencapsulation conditions were a pH of 4, Na-TPP concentration of 0.15% (w/v), and stirring time of 60 min. The microcapsules exhibited an IC₅₀ (inhibitory concentration) value of 223.64 ± 0.81 µg/mL and an …

Synthesis, Characterization, And Bioactivity Of 3-Substituted Coumarins As An Undergraduate Project, Karsen King, Nicholas Campbell, Ronald Okoth, Wathsala Medawala

Georgia Journal of Science

Coumarins are an important class of phytochemicals, a chemical defense presumed to be secreted by plants. More recently, Coumarins have gathered popularity for their basis in anti-cancer agents. This paper dives into the organic synthesis of two 3-substituted coumarins from o-vanillin using the Knoevenagel condensation reaction. The 3-substituted coumarin were characterized using melting point analysis, ¹H-NMR, and UV-Vis spectroscopy. In addition, the anticancer activity of synthesized 3-substituted coumarin compounds were assayed against topoisomeraseIIα, which is the target enzyme of FDA approved anti-cancer drug etoposide since it is an active enzyme in cancer cell replication. The demonstrated procedures can be …

Application Of Gellan Gum Biopolymer In Biomedical Applications: A Review, Norsyakirah Izzati Hishamuddin, Mohd Hasmizam Razali, Khairul Anuar Mat Amin

Makara Journal of Science

Gellan gum (GG) has gained considerable attention in the food, chemical, and pharmaceutical industries due to its functional characteristics. It has versatile properties, such as water solubility, easy bio-fabrication, good film/hydrogel-formation, biodegradability, and biocompatibility. These properties render GG a promising material in biomedical applications, specifically in the development of wound dressing materials. In this review, the use of GG biopolymer as a wound dressing material was discussed. Various fillers, such as titanium dioxides, clay, drug, and honey, have been incorporated in GG to produce film, hydrogel, or scaffold materials. The effects of filler on the mechanical performance, physical properties, antibacterial …

Thermal Properties Of 18f-Fdg Uptake And Imaging In Positron Emission Tomography Scans Of Cancerous Cells, Carleigh R. Eagle

PANDION: The Osprey Journal of Research and Ideas

Positron Emission Tomography (PET) scans can utilize a radioactive tracer, in this case 2-deoxy2-[fluorine-18] fluoro-D-glucose (¹⁸F-FDG), to visualize malignant tumors in cancer patients. The uptake was compared to glucose to understand the difference in thermal properties, which contribute to the ability to image the cancerous cells. The uptake of ¹⁸F-FDG by cancer cells and the imaging process of positron emission tomography were reviewed from a thermodynamic perspective. Gastrointestinal and neurological imaging techniques were reviewed to understand the role of PET imaging in different areas of the human body.

Visualization Without Vision – How Blind And Visually Impaired Students And Researchers Engage With Molecular Structures, Croix J. Laconsay, Henry B. Wedler, Dean J. Tantillo

Journal of Science Education for Students with Disabilities

This article examines the tools and techniques currently available that enable blind and visually impaired (BVI) individuals to visualize three-dimensional objects used in learning chemistry concepts. How BVI individuals engage with and visualize molecular structure is discussed and recent tactile (or haptic) and auditory methods for visualization of various chemistry concepts are summarized. Remaining challenges for chemistry education researchers are described with the aim of highlighting the potential value of educational research in further enabling BVI students to pursue careers in science, technology, engineering, and mathematics (STEM) fields.

Force Field Development Of Β-Lactam Class Antibiotics, Trevor Heinzmann

SMU Journal of Undergraduate Research

Molecular dynamics (MD) simulation is a computational chemistry technique used to observe how a molecular system behaves as time passes. MD is based on solving Newton’s equations of motion. This requires the use of force fields to describe the potential energy function of each different molecule type in molecular system. In order to develop a force field, charges, bonds, angles, and dihedrals must be parameterized to fit quantum mechanics (QM) data. By basing the force field on QM data, MD simulations have higher accuracy while still using the low computational cost of molecular mechanics. This project focuses on developing well-fit …