Ahmad J. Obaidullah
YOU?
Author Swipe
View article: Toxicological and Antidiabetic Investigation of <i>Albizia zygia</i> (D.C.) Macbr
Toxicological and Antidiabetic Investigation of <i>Albizia zygia</i> (D.C.) Macbr Open
Background of the study The global increase in the number of diabetes cases reported yearly is alarming, especially in developing countries. The study assessed the toxicological and antidiabetic effects of the leaf extract of Albizia zygia…
View article: Novel Sulfonamide Derivatives as Anticancer Agents, VEGFR-2 Inhibitors, and Apoptosis Triggers: Design, Synthesis, and Computational Studies
Novel Sulfonamide Derivatives as Anticancer Agents, VEGFR-2 Inhibitors, and Apoptosis Triggers: Design, Synthesis, and Computational Studies Open
Compounds 3a, 6, and 15 represent promising VEGFR-2-targeting sulfonamides with potent, selective anticancer activity and favorable pharmacokinetic and safety profiles, warranting further development as lead candidates.
View article: Advanced hybrid intelligence evaluation of nanomedicine delivery to various organs using machine learning and adaptive tree structured Parzen estimator
Advanced hybrid intelligence evaluation of nanomedicine delivery to various organs using machine learning and adaptive tree structured Parzen estimator Open
View article: Doxorubicin delivery by pYEEIE peptide-functionalized rhodiola rosea-derived exosome-like nanovesicles for targeted melanoma therapy
Doxorubicin delivery by pYEEIE peptide-functionalized rhodiola rosea-derived exosome-like nanovesicles for targeted melanoma therapy Open
Introduction Melanoma is the most common cause of skin cancer-related deaths due to its aggressive nature. Plant-derived exosome-like nanovesicles (PELNs) are promising natural nanoparticles for therapeutic applications owing to their bioc…
View article: Combination of machine learning and Raman spectroscopy for prediction of drug release in targeted drug delivery formulations
Combination of machine learning and Raman spectroscopy for prediction of drug release in targeted drug delivery formulations Open
In this research, advanced regression techniques are investigated for modeling intricate release patterns utilizing a high-dimensional dataset comprising more than 1500 spectrum-based variables and categorical inputs. The spectral data are…
View article: Machine learning-based analysis on pharmaceutical compounds interaction with polymer to estimate drug solubility in formulations
Machine learning-based analysis on pharmaceutical compounds interaction with polymer to estimate drug solubility in formulations Open
View article: Computational investigation of Belzutifan drug delivery mechanisms using SiC nanocrystals via combined DFT and molecular dynamics approaches
Computational investigation of Belzutifan drug delivery mechanisms using SiC nanocrystals via combined DFT and molecular dynamics approaches Open
This study employs density functional theory (DFT) and molecular dynamics (MD) simulations to investigate silicon carbide (SiC) nanocrystals as carriers for the anticancer drug Belzutifan. Among tested functional groups (-H, -OH, -NH₂, -CO…
View article: Analysis of drug crystallization by evaluation of pharmaceutical solubility in various solvents by optimization of artificial intelligence models
Analysis of drug crystallization by evaluation of pharmaceutical solubility in various solvents by optimization of artificial intelligence models Open
View article: Functionalized turmeric nanovesicles for precision delivery of doxorubicin in colorectal carcinoma treatment
Functionalized turmeric nanovesicles for precision delivery of doxorubicin in colorectal carcinoma treatment Open
Nanoscale vesicles have emerged as promising biocompatible vehicles for precision drug delivery, owing to their inherent therapeutic properties and versatile structural configurations. This study introduces an innovative biomanufacturing s…
View article: Comparative evaluation of hybrid and individual models for predicting soybean yellow mosaic virus incidence
Comparative evaluation of hybrid and individual models for predicting soybean yellow mosaic virus incidence Open
Forecasting the severity of crop diseases is crucial for agricultural productivity and can be achieved through statistical and machine learning techniques. Predictive models that consider weather conditions during critical growth stages of…
View article: Computational study of carboplatin interaction with PEG-functionalized C60 fullerene as a drug carrier using DFT and molecular dynamics simulations
Computational study of carboplatin interaction with PEG-functionalized C60 fullerene as a drug carrier using DFT and molecular dynamics simulations Open
View article: Estimation and validation of solubility of recombinant protein in E. coli strains via various advanced machine learning models
Estimation and validation of solubility of recombinant protein in E. coli strains via various advanced machine learning models Open
View article: Integrated Experimental and Computational Study of Imidazopyridine Derivatives: Synthesis, DFT, Molecular Docking and Dynamic Simulations
Integrated Experimental and Computational Study of Imidazopyridine Derivatives: Synthesis, DFT, Molecular Docking and Dynamic Simulations Open
In this study, we have synthesized imidazo[1,2‐a] pyridine derivatives with NO ( EA 02 ) and NH 2 ( EA 03 ) functional groups. These groups have the advantage of providing sites for future branching to stabilize the molecule in the chosen …
View article: Potential effects of lipid lowering and antioxidant activity of exosomes from Phascolosoma esculenta: in vivo and in vitro studies
Potential effects of lipid lowering and antioxidant activity of exosomes from Phascolosoma esculenta: in vivo and in vitro studies Open
Exosomes released from cells have been shown to play an important role in health and disease due to their potential application in therapy and diagnosis. First of all, we extracted the exosome from Phascolosoma esculenta, and studied the l…
View article: Advanced analysis on the correlation of salicylic acid solubility to solvent composition, temperature and pressure via machine learning approach
Advanced analysis on the correlation of salicylic acid solubility to solvent composition, temperature and pressure via machine learning approach Open
This work aims to use powerful machine learning methods to predict salicylic acid solubility in various solvents as function of pressure and temperature. Using a dataset consisting of 217 data points and 15 input features, the analysis was…
View article: A DFT insight into the potential of cycloparaphenylenes as efficient sensors for detecting Paracetamol
A DFT insight into the potential of cycloparaphenylenes as efficient sensors for detecting Paracetamol Open
Paracetamol (PCT) frequently contaminates natural water sources, posing potential risks to both human health and ecosystems. This study presents a computational investigation into the sensing capabilities of methylene-bridged [n]cycloparap…
View article: Computational intelligence investigations on evaluation of salicylic acid solubility in various solvents at different temperatures
Computational intelligence investigations on evaluation of salicylic acid solubility in various solvents at different temperatures Open
This research shows the utilization of various tree-based machine learning algorithms with a specific focus on predicting Salicylic acid solubility values in 13 solvents. We employed four distinct models: cubist regression, gradient boosti…
View article: Novel Azo dyes containing a hydrazide-hydrazone moiety for dyeing polyester fabric
Novel Azo dyes containing a hydrazide-hydrazone moiety for dyeing polyester fabric Open
View article: Development of a CFD simulation for the analysis of CO2 separation percentage using novel [emim][C2N3] ionic liquid solution inside the gas–liquid contactor
Development of a CFD simulation for the analysis of CO2 separation percentage using novel [emim][C2N3] ionic liquid solution inside the gas–liquid contactor Open
Growing emission of environmentally-hazardous greenhouse pollutants (especially CO2) has motivated the researchers to apply gas-liquid membrane contactors as an easy-to-operate and cost-effective technique for increasing their s…
View article: Exploring the potential of some natural indoles as antiviral agents: quantum chemical analysis, inverse molecular docking, and affinity calculations
Exploring the potential of some natural indoles as antiviral agents: quantum chemical analysis, inverse molecular docking, and affinity calculations Open
Human immunodeficiency virus (HIV) and hepatitis C virus (HCV) infections represent critical global health challenges due to the high morbidity and mortality associated with co-infections. HIV, the causative agent of acquired immunodeficie…
View article: Intelligence analysis of drug nanoparticles delivery efficiency to cancer tumor sites using machine learning models
Intelligence analysis of drug nanoparticles delivery efficiency to cancer tumor sites using machine learning models Open
This study focuses on the use of machine learning (ML) models to predict the biodistribution of nanoparticles in various organs, using a dataset derived from research on nanoparticle behavior for cancer treatment. The dataset includes both…
View article: Remarkable utilization of quinazoline-based homosulfonamide for <i>in vitro</i> cytotoxic effects with triple kinase inhibition activities: cell cycle analysis and molecular docking profile
Remarkable utilization of quinazoline-based homosulfonamide for <i>in vitro</i> cytotoxic effects with triple kinase inhibition activities: cell cycle analysis and molecular docking profile Open
Hydrazone 5 had a higher mean GI 50 (1.1 μM) than gefitinib and erlotinib (2.1 and 7.7 μM). Compared to gefitinib and dinaciclib, hydrazones 5 and 6 strongly inhibit EGFR, HER2, and CDK9 kinases. They are also less toxic to WI-38 than doxo…
View article: A novel role for nonactin: interfering with G-quadruplex in RET-driven medullary thyroid cancer
A novel role for nonactin: interfering with G-quadruplex in RET-driven medullary thyroid cancer Open
The findings highlight the compound's therapeutic potential, emphasizing its mechanism of inducing apoptosis in active mutant RET cell lines by interacting with G-quadruplex structures. This novel insight opens avenues for a potentially ef…
View article: Computational intelligence analysis on drug solubility using thermodynamics and interaction mechanism via models comparison and validation
Computational intelligence analysis on drug solubility using thermodynamics and interaction mechanism via models comparison and validation Open
This study investigates the application of various regression models for predicting drug solubility in polymer and API-polymer interactions in complex datasets. Four models-Gaussian Process Regression (GPR), Support Vector Regression (SVR)…
View article: Complexes of the antibiotic drug succinylsulfathiazole with the La(III), Sm(III), and Tb(III) ions: Spectral characterizations, microscopic pictures, and thermal properties
Complexes of the antibiotic drug succinylsulfathiazole with the La(III), Sm(III), and Tb(III) ions: Spectral characterizations, microscopic pictures, and thermal properties Open
Reacting the antibiotic drug succinylsulfathiazole (abbreviated as SST) with the lanthanide metal ions La(III), Sm(III), and Tb(III) generated thermal stable metal-based complexes. The temperature of the reaction was 70 oC, at a pH of ~ 8.…
View article: Unraveling the Antidiabetic Effect of <i>Alternantera brasiliana</i> (L.) Kuntze: A Combined <i>in Vitro</i> and <i>in Vivo</i> Approach
Unraveling the Antidiabetic Effect of <i>Alternantera brasiliana</i> (L.) Kuntze: A Combined <i>in Vitro</i> and <i>in Vivo</i> Approach Open
Background of the study This study established the antidiabetic efficacy of Alternantera brasiliana in vitro and in vivo, identified the most active fraction and profiled the chemical constituents of the most active fraction. Methodology T…
View article: Health risk assessment of heavy metals in groundwater sources: carcinogenic and non-carcinogenic evaluation
Health risk assessment of heavy metals in groundwater sources: carcinogenic and non-carcinogenic evaluation Open
Persistent exposure to arsenic, chromium, cadmium, lead, and selenium in drinking water above permissible levels poses significant health risks, including increased incidences of skin, lung, bladder, and kidney cancers. This study evaluate…
View article: Modeling and validation of purification of pharmaceutical compounds via hybrid processing of vacuum membrane distillation
Modeling and validation of purification of pharmaceutical compounds via hybrid processing of vacuum membrane distillation Open
View article: Thiazine-derived compounds in inhibiting efflux pump in Staphylococcus aureus K2068, mepA gene expression, and membrane permeability alteration
Thiazine-derived compounds in inhibiting efflux pump in Staphylococcus aureus K2068, mepA gene expression, and membrane permeability alteration Open
Staphylococcus aureus is a bacterium responsible for resistance to multiple drugs and the efflux system is widely studied among the resistance mechanisms developed by this species. The present study evaluates the inhibition of the MepA eff…
View article: Quantitative analysis of loxoprofen sodium loaded microspheres comprising pectin and its thiolated conjugates: In-vivo evaluation of their sustained release behavior
Quantitative analysis of loxoprofen sodium loaded microspheres comprising pectin and its thiolated conjugates: In-vivo evaluation of their sustained release behavior Open