bluuebunny/crossref_metadata_2025_split huggingface dataset:
Status and Prospects of Research on Deep Learning-based De Novo Generation of Drug Molecules
Authors: Shi Huanghao , Wang Zhichao , Zhou Litao , Xu Zhiwang , Xie Liangxu , Kong Ren , Chang Shan 
Published: February 2024

Abstract:
Traditional molecular de novo generation methods, such as evolutionary algorithms,
generate new molecules mainly by linking existing atomic building blocks. The challenging
issues in these methods include difficulty in synthesis, failure to achieve desired properties, and
structural optimization requirements. Advances in deep learning offer new ideas for rational and
robust de novo drug design. Deep learning, a branch of machine learning, is more efficient than
traditional methods for processing problems, such as speech, image, and translation. This study
provides a comprehensive overview of the current state of research in de novo drug design
based on deep learning and identifies key areas for further development. Deep learning-based de
novo drug design is pivotal in four key dimensions. Molecular databases form the basis for
model training, while effective molecular representations impact model performance. Common
DL models (GANs, RNNs, VAEs, CNNs, DMs) generate drug molecules with desired properties.
The evaluation metrics guide research directions by determining the quality and applicability
of generated molecules. This abstract highlights the foundational aspects of DL-based de
novo drug design, offering a concise overview of its multifaceted contributions. Consequently,
deep learning in de novo molecule generation has attracted more attention from academics and
industry. As a result, many deep learning-based de novo molecule generation types have been
actively proposed.
Role of Nanoformulations in the Treatment of Lung Cancer
Authors: Pandey Parijat , Nautiyal Gunjan , Purohit Deepika , lata Sneh , Kumar Virender , Makhija Manish , Manchanda Deeksha , Minocha Neha , Kumar Sunil , Kaushik Deepak 
Published: February 2024

Abstract:
Lung cancer is the second deadliest disease in the world. A major portion of deaths related to cancer are due to lung cancer in both males and females. Interestingly, unbelievable advances
have occurred in recent years through the use of nanotechnology and development in both the diagnosis and treatment of lung cancer. Due to their in vivo stability, the nanotechnology-based pharmacological system gained huge attractiveness, solubility, absorption from the intestine, pharmacological effectiveness, etc. of various anticancer agents. However, this field needs to be utilized more to
get maximum results in the treatment of lung cancer, along with wider context medicines. In the
present review, authors have tried to concentrate their attention on lung cancer`s difficulties along
with the current pharmacological and diagnostic situation, and current advancements in approaches
based on nanotechnology for the treatment and diagnosis of lung cancer. While nanotechnology offers these promising avenues for lung cancer diagnosis and treatment, it is important to acknowledge
the need for careful evaluation of safety, efficacy, and regulatory approval. With continued research
and development, nanotechnology holds tremendous potential to revolutionize the management of
lung cancer and improve patient outcomes. The review also highlights the involvement of endocrine
systems, especially estrogen in lung cancer proliferation. Some of the recent clinical trials and patents on nanoparticle-based formulations that have applications in the treatment and diagnosis of
lung cancer are also discussed.
Nrf2 Mediates Effect of Resveratrol in Ischemia-reperfusion Injury
Authors: Pourbagher-Shahri Ali Mohammad , Farkhondeh Tahereh , Jafari-Nozad Amir Masoud , Darroudi Majid , Naseri Kobra , Amirian Masoumeh , Samarghandian Saeed 
Published: February 2024

Abstract::
Ischemia-Reperfusion Injury (IRI) is a paradoxical phenomenon where removing the source of injury can cause additional damage. Ischemia
reduces ATP production and intracellular pH, reducing oxidative reactions, increasing lactic acid release, and activating anaerobic metabolism.
Reperfusion restores aerobic respiration and increases ROS production, leading to malfunction of transmembrane transport, activation of proteases,
DNA dissolution, and protein denaturation, leading to apoptotic cell death. Nrf2 is a transcription factor that regulates cellular inflammation and
oxidative responses. It is activated by oxidants and electrophiles and enhances detoxifying enzyme expression, maintaining redox homeostasis. It
also activates ARE, which activates several ARE-regulated genes that favor cell survival by exhibiting resistance to oxidants and electrophiles.
Nrf2 regulates the antioxidant defense system by producing phase II and antioxidant defense enzymes, including HO-1, NQO-1, gglutamylcysteine
synthetase, and rate-limiting enzymes for glutathione synthesis. Nrf2 protects mitochondria from damage and supports
mitochondrial function in stress conditions. Resveratrol is a stilbene-based compound with a wide variety of health benefits for humans, including
antioxidant, anticarcinogenic, antitumor, and estrogenic/antiestrogenic. Resveratrol protects against IRI through several signaling pathways,
including the Nrf2/ARE pathway. Here, we review the studies that investigated the mechanisms of resveratrol protection against IRI through
modulation of the Nrf2 signaling pathway.
Sanguinarine Attenuates Lung Cancer Progression via Oxidative Stress-induced
Cell Apoptosis
Authors: Ullah Asmat , Razzaq Anum , Alfaifi Mohammad Y. , Elbehairi Serag Eldin I. , Menaa Farid , Ullah Najeeb , Shehzadi Somia , Nawaz Touseef , Iqbal Haroon 
Published: February 2024

Background::
Lung cancer (LC) incidence is rising globally and is reflected as a leading cause of cancer-associated deaths. Lung cancer leads to multistage
carcinogenesis with gradually increasing genetic and epigenetic changes.

Aims::
Sanguinarine (sang) mediated the anticancer effect in LCC lines by involving the stimulation of reactive oxygen species (ROS), impeding Bcl2,
and enhancing Bax and other apoptosis-associated protein Caspase-3, -9, and -PARP, subsequently inhibiting the LC invasion and migration.

Objective::
This study was conducted to investigate the apoptotic rate and mechanism of Sang in human LC cells (LCC) H522 and H1299.

Methods::
MTT assay to determine the IC50, cell morphology, and colony formation assay were carried out to show the sanguinarine effect on the LC cell
line. Moreover, scratch assay and transwell assay were performed to check the migration. Western blotting and qPCR were done to show its effects
on targeted proteins and genes. ELISA was performed to show the VEGF effect after Sanguinarine treatment. Immunofluorescence was done to
check the interlocution of the targeted protein.

Results::
Sang significantly inhibited the growth of LCC lines in both time- and dose-dependent fashions. Flow cytometry examination and Annexin-V
labeling determined that Sang increased the apoptotic cell percentage. H522 and H1299 LCC lines treated with Sang showed distinctive
characteristics of apoptosis, including morphological changes and DNA fragmentation.

Conclusion::
Sang exhibited anticancer potential in LCC lines and could induce apoptosis and impede the invasion and migration of LCC, emerging as a
promising anticancer natural agent in lung cancer management.
Mensaje del Director de la Facultad de Medicina
Authors: Graue Wiechers Enrique 
Published: February 2024

No tengo duda alguna de que la Facultad de Medicina de la UNAM es la más grande e importante del país. Lo es por su historia, no son poca cosa 433 años enseñando medicina; lo es por su participación activa, a lo largo de toda su historia, en la construcción del sistema de salud del país; lo es por sus aportaciones a la investigación y por haber generado, a través de sus profesores e investigadores, institutos de investigación de gran trascendencia nacional e internacional; lo es por sus aportaciones sociales, cuya mejor evidencia es el servicio social en medicina; lo es por el número de egresados con los que hemos ayudado a forjar nuestra nación; lo es por el número y la calidad de alumnos que tenemos y lo es también, por nuestras sedes clínicas y por la fuerza y vitalidad de nuestra planta docente.
Aspectos éticos de la investigación en educación médica
Authors: García Rillo Arturo 
Published: February 2024

Objetivo: Analizar los aspectos fundamentales que promuevan la reflexión filosófica para comprender la ética inmersa en el proceso de investigación en educación médica. Punto originario de partida-arribo: A partir de la ética hermenéutica, se construye un esquema analítico con los siguientes elementos: punto de mira, dirección de la mirada y horizonte de la mira, lo que permite hacer converger la tradición médica, la tradición científica y las tendencias en educación médica. Horizonte de comprensión: Se identifica un esquema cognitivo-moral integrado por cuatro componentes: valores, decisión moral, virtudes y juicio moral. Estos se encuentran articulados y no se excluyen mutuamente, y permiten situar el análisis de los problemas éticos en situaciones concretas en las que se realizan los procesos de investigación educativa. Fusión de horizontes: El problema práctico de la aplicación de la reflexión filosófica a los casos concretos de investigación con problemas éticos, se resuelve mediante la rehabilitación del modelo de deliberación propuesto por Diego Gracia.
Conclusión: Comprender la investigación educativa como una praxis social que surge de la estadía del ser humano en el mundo de la vida, rehabilita la visión hermenéutica que acompaña tanto al docente, como al investigador y al médico, y posibilita la circunscripción de los aspectos éticos de la investigación en educación médica en un esquema cognitivo-moral que facilita la posibilidad de realizar un análisis deliberativo para determinar el curso de la acción ética en los procesos de investigación y que además, contribuye al fomento de la solidaridad entre los participantes de los procesos de investigación.
La enseñanza de la comunicación en medicina
Authors: Petra-Micu Ileana María 
Published: February 2024

ResumenA la comunicación se le considera como un proceso de comprensión y de compartir el significado de algo, es el elemento básico de la interacción humana que permite a las personas establecer, mantener y mejorar el contacto con otros, así como participar en el conocimiento de uno mismo. Simultáneamente es vista como una habilidad, y al mismo tiempo una forma de mostrar la personalidad dentro de una relación. En el campo de las ciencias de la salud, la comunicación es vista como una competencia nuclear para dilucidar los síntomas del paciente, sus problemas y preocupaciones y se sabe que facilita la promoción de la salud y el apego al tratamiento; siendo indispensable para unabuena relación, varios teóricos han tratado de enumerar las habilidades que se requiere para una comunicación efectiva también entre pares desde el pregrado hasta posgrado y durante el ejercicio de la profesión. Se debe considerar que la comunicación es una habilidad aprendida, compuesta por conductas verbales y no verbales que deberá ser desarrollada desde el primer año de la carrera hasta el posgrado. El desarrollo de estas habilidades incluye manejo de la comunicación oral, paraverbal, no verbal, escrita y el manejo de una escucha activa. Llevar a cabo una enseñanza adecuada de todas estas y otras áreas favorece el desarrollo de una comunicación efectiva y enriquece formación de médico, pudiéndose observar en su práctica profesional resultados como los siguientes: mayor satisfacción del paciente, mejora el apego al tratamiento, disminuye el riesgo de un error médico y mejora la satisfacción del médico.
La prueba de la hipótesis nula y sus alternativas: revisión de algunas críticas y su relevancia para las ciencias médicas
Authors: Leenen Iwin 
Published: February 2024

ResumenLa prueba de significancia de la hipótesis nula constituye la herramienta más generalizada para evaluar hipótesis científicas y tomar decisiones al respecto, no sólo en las ciencias médicas y de la salud, sino también en la biología, la psicología, las ciencias políticas y otras ciencias sociales. Sin embargo, desde su introducción por Sir Ronald Fisher en 1925, la técnica ha sido objeto de un debate acalorado entre, por un lado, críticos que identifican varios problemas conceptuales y de interpretación y, por otro lado, defensores que se aferran a la idea de que (el uso correcto de) la técnica tiene un lugar insustituible en el arsenal de la estadística aplicada. Este ensayo revisa algunas de las críticas de este debate, ilustra su relevancia en el ámbito de la investigación en medicina y discute algunas recomendaciones como remedio o alternativa para la prueba de significancia.
Development of a target quality profile for capsules containing a dry extract of salvia sclarea l. grown in tajikistan
Authors: Kholov S. B. , Musozoda S. M. , Lytkin D. V. , Yuldasheva U. P. , Kukhtenko H. P. 
Published: February 2024

Aim. To work out the concept of scientific research on the pharmaceutical development of capsules based on the substance of a dry extract of Salvia sclarea L. (clary sage) grown in Tajikistan by developing a target drug quality profile.
Materials and methods. During the research, methods of a systematic approach, scientific analysis, comparison, analogy, and generalization of information on the pharmaceutical development of herbal medicines were used. Tabular and schematic tools for visual presentation of the data obtained were also applied.
Results. The pharmacological studies of a dry extract of Salvia sclarea L. grown in Tajikistan using the “elevated plus maze” test indicate the prospects of its use as an active substance of a moderate anxiolytic action in the dose of 300 mg/kg. The results obtained served as the basis for developing a target quality profile for capsules containing a dry extract as the first stage of the pharmaceutical development, implementing the programmable quality concept “Quality by Design”. When developing the target quality profile for capsules, a set of complementary provisions, recommendations, and methods of the State Pharmacopoeia of Ukraine and the Eurasian Economic Union concerning the issues of technological, chemical, and microbiological requirements for the development of pharmaceutical products was analyzed.
Conclusions. Thus, the development of a target quality profile for capsules containing a dry extract of Salvia sclarea L. will make it possible to rationally use material resources and implement the programmable quality concept.
The effect of antipsychotic therapy to the ribosomal repeat copy number variation in the the composition of plasma circulating DNA in patients with schizophrenia
Authors: Ершова Е.С. , Жесткова Е.М. , Мартынов А.В. , Захарова Н.В. , Бравве Л.В. , Костюк Г.П. , Вейко Н.Н. , Костюк С.В. 
Published: February 2024

Циркулирующая внеклеточная ДНК (вкДНК) при патологии оказывает негативное действие на клетки организма, поддерживая системное воспаление. Фрагменты рибосомного повтора (рДНК), которые накапливаются в составе вкДНК, активируют транскрипционный фактор NF-kB, который регулирует транскрипцию генов провоспалительных цитокинов. В работе показано, что антипсихотическая терапия ассоциирована со значительным снижением концентрации биологически активных фрагментов рДНК в плазме крови больных. Поиск малотоксичных синтетических и природных соединений на основе молекулярных структур, входящих в состав антипсихотиков, может привести к появлению лекарств, изменяющих биологическую активность вкДНК.
Circulating extracellular DNA (cfDNA) in pathology has a negative effect on the cells of the body, supporting systemic inflammation. Ribosomal repeat fragments (rDNA), which accumulate in cfDNA, activate the transcription factor NF-kB, which regulates the transcription of pro-inflammatory cytokine genes. The work shows that antipsychotic therapy is associated with a significant decrease in the concentration of biologically active rDNA fragments in the blood plasma of patients. The search for low-toxic synthetic and natural compounds based on the molecular structures that make up antipsychotics may lead to the emergence of drugs that change the biological activity of cfDNA.
Cytogenomic approach in the diagnostics of inverted duplication/deletion rearrangements
Authors: Юрченко Д.А. , Миньженкова М.Е. , Твеленева А.А. , Воронцова Е.О. , Харченко Т.В. , Шилова Н.В. 
Published: February 2024

В статье обсуждается роль молекулярно-цитогенетических методов в контексте цитогеномной диагностики хромосомных аномалий. На сегодняшний день основным методом детекции вариаций числа копий участков ДНК (Сopy Number Variation – CNV) в клинической практике является хромосомный микроматричный анализ (ХМА). Однако, метод имеет существенное ограничение из-за отсутствия информации о числе и структуре хромосом, вовлеченных в перестройку, а также невозможности установить механизм, приводящий к определенному хромосомному дисбалансу. Поэтому возникает необходимость использования дополнительного метода (или методов) для верификации результатов ХМА, одним из которых является флуоресцентная гибридизация in situ (FISH). Использование комплексного (цитогеномного) подхода в диагностике хромосомных перестроек позволяет не только детектировать CNV, но и определить структуру и предположить механизм формирования хромосомного дисбаланса. В своей работе мы показали возможность и важность использования дополнительных лабораторных генетических методов на примере диагностики и изучения инвертированных дупликаций со смежными терминальными делециями (inv dup del). Разработанные несерийные (homemade) ДНК-зонды позволили детализировать структуру и подтвердить гипотезу об инвертированной ориентации дуплицированного сегмента на примере двух хромосомных перестроек — inv dup del(7q) и inv dup del(8p). Продемонстрированный цитогеномный подход, позволяющий интерпертировать сложные хромосомные перестройки, такие как inv dup del, подчеркивает важность и необходимость персонализации каждого случая диагностики хромосомных аномалий.
The article describes the role of molecular cytogenetic methods in the context of cytogenomic approach of chromosomal abnormalities. Only the use of a complex (cytogenomic) approach in the diagnosis of chromosomal rearrangements makes it possible to detect CNV, as well as to determine the structure and mechanism of the formation of chromosomal imbalance. In our work, we have shown the possibility and importance of using additional research methods on the example of diagnosing and studying inverted duplications with adjacent terminal deletions (inv dup del). The developed homemade DNA-probes made it possible to detail the structure and confirm the hypothesis of the inverted orientation of the duplicated segment using two chromosome rearrangements, inv dup del(7q) and inv dup del(8p), as an example. The demonstrated cytogenomic approach, which allows the interpretation of complex chromosomal rearrangements such as inv dup del, highlights the importance and necessity of personalizing each case of chromosomal abnormality diagnosis.
Penerapan Langgam Arsitektur Indo-Eropa Pada Fasad Wendy’s Braga di Bandung
Authors: Alfariza Teuku Fathan , Anita Juarni , Murtadho Jabir , Prabowo Eric , Erlangga Fiddy 
Published: February 2024

Bandung direncanakan sebagai pusat pemerintahan Hindia Belanda. Oleh karenanya hingga saat ini masih terdapat banyak peninggalan Kolonial Belanda, salah satunya terdapat di sepanjang Jalan Braga. Braga merupakan salah satu jalan di kawasan pusat kota yang memiliki nilai historis dan telah ditetapkan sebagai kawasan Cagar Budaya. Salah satu bangunan yang memiliki nilai sejarah adalah Wendy’s Braga. Bangunan ini dibangun tahun 1918 sebagai showroom mobil perusahaan Fuchs en Rens, sekarang berubah fungsi menjadi Restoran Wendy’s. Bangunan ini memiliki langgam Indo-Eropa karena menggabungkan langgam arsitektur kolonial modern dengan arsitektur tropis. Tujuan penelitian ini untuk mengidentifikasi langgam Indo-Eropa pada fasad bangunan Wendy’s. Identifikasi bermanfaat untuk memperkuat eksistensi arsitektural sebagai bagian dari warisan budaya yang dilindungi. Metode studi yang dilakukan dengan pendekatan kualitatif melalui deskripsi sejarah bangunan Wendy’s dan implementasi unsur cagar budaya. Pengumpulan data primer dilakukan melalui observasi lapangan. Hasil penelitian menunjukkan bahwa ornamen Indo-Eropa yang diterapkan berupa desain fasad bangunan simetris, garis-garis horizontal di atas kusen jendela dan pintu, serta atap miring sebagai adaptasi terhadap iklim tropis.
Literature Review: The Effect of Sun Exposure on Parathyroid Hormone Activity
Authors: Puspita Rika Dea , Yuniarti Elsa 
Published: February 2024

Abstract:Indonesia is one of the tropical countries with year-round sunshine. This certainly allows Indonesians to be regularly exposed to the sun during daytime activities outside the home. Exposure to the sun has a significant impact on humans. To date, research on the prevalence of vitamin D deficiency, particularly in humans, has been rare. The purpose of this literature review is to provide the reader with information on the effects of sun exposure on parathyroid hormone levels. The method used to write this document is the literary criticism method. (LRA) with references taken from published or revoked (POP) databases published between 2010 and 2022. In this literature review, the keywords used include including sun, hormones, activity, vitamin D, parathyroid glands. Based on literature from a variety of research findings, it was found that sun exposure affects parathyroid hormone levels. Because vitamin D in sunlight is in the form of 1,25(OH)2D, it works with parathyroid hormone and calcitonin to maintain normal plasma calcium levels.
PENGELOLAHAN RISIKO RANTAI PASOK PRODUK OLAHAN BANDENG PADA UD. ARSHAINDO MENGGUNAKAN METODE HOUSE OF RISK
Authors: Al Basthomi M Yazid 
Published: February 2024

ABSTRACT
Milkfish is one of the types that dominates the total production of this pond culture because it is one of the most potential fish species to be cultivated because of the fish's viability, which is 10,208.23 tons based on data from the East Java Province Fisheries and Marine Service in the last 207 updated in 2019 The increase in the aquaculture yield has triggered the owners of UKM (Small and Medium Enterprises) which are developing in Gresik Regency to process the milkfish. Opportunities for processing milkfish into other products make this product a higher selling value compared to fresh milkfish which is sold directly to consumers. The large number of parties involved in the process or supply chain causes risk to arise, therefore it is necessary to identify the risk of SMEs and design a handling strategy for the risks that exist in the related SMEs. The House Of Risk method is used in identifying risks and providing risk management strategies for the dominant risk causes. This method consists of 2 stages, namely the risk identification stage and the causes of risk or called the House Of Risk Phase 1 and the risk management phase or the House Of Risk Phase 2.The House Of Risk 1 phase shows that in the related SMEs there are 24 types of risk and 20 types of risk causes. which exists. In calculating the ARP and using the Pareto diagram, the results show that there are 5 causes of dominant risk in these UKM. The House Of Risk 2 phase results in 5 risk management strategies for 20 causes of dominant risk.
Keywords :House Of Risk, Milkfish, Risk Identification, Risk Management