The investigation for innovative treatments for Pseudomonas aeruginosa and SARS-CoV-2
is a burgeoning field. Even though scientists and pharmaceutical companies have made …

ABSTRACT 3D-QSAR, comparative molecular field analysis-smart region description (SRD)
and fractional factorial design (FFD)(CoMFA-FFD), and comparative molecular field analysis …

Doxorubicin (DOXO) is a widely used anti-cancer agent, yet the precise mechanism
underlying the induction of tumor cell death remains unclear. This study aimed to elucidate …

Objectives: Cancer is among four major Non-Communicable Diseases (NCD). Based on the
World Health Organization (WHO), it is the biggest cause of mortality globally, claiming …

Quantitative correlations of chemical compounds' biological activity (response variables)
with their molecular structures are known as QSARs (independent variables). The molecular …

Any disease's etiology and molecular mechanism must be well understood to design an
effective treatment plan. A broad category of illnesses known as autoimmune disorders is …

The current prominent virus that induces severe acute respiratory syndrome is SARS-CoV-2.
The incidence of COVID-19 cases is increasing, necessitating the immediate development …

Lysosomal membrane proteins (LAMPs) are a primary target for treating tumors because of
their essential role in the cancer life cycle. In this study, some computational approaches …

ABSTRACT Coronavirus disease 2019 (COVID-19) is a pandemic disease caused by the
SARS-coronavirus-2, which has a high rate of infection. Regardless of the advancements …

Molecular dynamics (MD) are being widely used in the early phases of drug discovery to
identify promising drug candidates against particular targets as well as intra-and …