Synthesis, structural, DFT, quantum chemical modeling and molecular docking studies of (E)-4-(((5-methylfuran-2-yl) methylene) amino) benzenesulfonamide from 5 …

J Geethapriya, A Shanthidevi, M Arivazhagan… - Journal of the Indian …, 2022 - Elsevier
Abstract Schiff base (E)-4-(((5-methylfuran-2-yl) methylene) amino) benzene sulfonamide
(5M2FNI) compound was synthesized with coordination of 5-methyl-2-furaldehyde and …

Quantum mechanical studies of 5‐amino‐2‐(6‐(2‐hydroxyethyl)‐3‐oxononyl) cyclohex‐2‐enone isolated from a marine algae

SR Begum, DJ Rao, KVR Rao… - Vietnam Journal of …, 2022 - Wiley Online Library
The compound C1 from marine algae was isolated and characterized by FTIR, FT‐Raman
and UV‐Vis, with compared to experimental and simulated methods. The compound …

[HTML][HTML] Virtual screening of natural metabolites and antiviral drugs with potential inhibitory activity against 3CL-PRO and PL-PRO

N Contreras-Puentes… - Biomedical and …, 2020 - biomedpharmajournal.org
Aims: COVID-19 is a global pandemic that has affected around 186 countries in the world,
related to clinical signs as fever, cough and pneumonia. The disease is caused by SARS …

[PDF][PDF] MOLECULAR DESIGN AND ANTI-BREAST CANCER ACTIVITY OF TUPICHINOL E IN HER2+ BREAST CANCER AND EGFR SENSITIZED TO OSMERTINIB …

A Samantaray, D Pradhan, L Mohanty, N Nayak - IJPSR, 2023 - researchgate.net
The epidermal growth factor receptor is a tyrosine kinase receptor and its overexpression
triggers cancers. EGFR inhibition is one of the most unique and popular technique for …

Evaluation of the Nimbamrithadhi Panchathiktha Kashayam against SARS CoV-2 based on Network Pharmacology and Molecular Docking analysis

M Murali, B Nair, VV Radhakrishnan… - … Chemistry & High …, 2023 - ingentaconnect.com
Background: Nimbamrithadhi Panchathiktha Kashayam (NPK) is an Ayurvedic formulation of
potent plant ingredients with immune-modulating effects and anti-viral activities. Objectives …

Virtual screening of Osimertinib and Dacomitinib Analogues with potential activity on EGFR (T790M and l858R Mutations) for non-small cell lung cancer treatment

LL Torres, NC Puentes… - Revista Ciencias …, 2021 - revistas.unicartagena.edu.co
Introducción: Los fármacos inhibidores de la tirosina quinasa (TKI) actúan sobre receptores
del factor de crecimiento epidérmico (EGFR) para tratar el cáncer de pulmón no microcítico …

Molecular drug Discovery of single Ginsenoside compounds as a potent Bruton's tyrosine kinase inhibitor

KW Lee, WH Lee, BS Han, JH Lee, EK Doo… - International Journal of …, 2020 - mdpi.com
Bruton's tyrosine kinase (BTK) is known as a direct regulator of inflammasome, which is an
intracellular target to therapeutically modulate innate immunity. Although there is great …

Quitinasas como un nuevo grupo de panalérgenos: un enfoque in silico desde sus bases estructurales e inmunológicas

M Munera, N Contreras… - Revista Ciencias …, 2023 - revistas.unicartagena.edu.co
Introducción: las quitinasas son enzimas modificadoras de quitina y se han reportado como
alérgenos en plantas y poco en animales, aunque poseen reactividad cruzada debido a su …

Estudio in sílico de análogos estructurales de anestésicos locales en el canal de sodio nav1. 7 una diana farmacológica sobre la pulpa dental inflamada

I Manzur Villalobos - 2021 - repositorio.unicartagena.edu.co
Las vías del dolor se transmiten a través de las fibras sensitivas A delta y C, donde se
encuentran los canales Nav1s. Los subtipos Nav1. 7, 1.8 y 1.9 se expresan y se asocian …

[HTML][HTML] Cribado virtual de Análogos de Osimertinib y Dacomitinib con actividad potencial sobre el receptor de factor de crecimiento epidérmico EGFR (MUTACIONES …

LL Torres, NC Puentes, AA Amador - Revista Ciencias …, 2021 - dialnet.unirioja.es
Objetivo: Identificar moléculas prometedoras análogas a los fármacos inhibidores de la
tirosina quinasa (TKIs) con capacidad potencial de unirse al EGFR nativo y mutado (T790M …