Therapeutic potential of pyrrole and pyrrolidine analogs: an update

N Jeelan Basha, SM Basavarajaiah, K Shyamsunder - Molecular Diversity, 2022 - Springer
The chemistry of nitrogen-containing heterocyclic compound pyrrole and pyrrolidine has
been a versatile field of study for a long time for its diverse biological and medicinal …

N-Heterocycles as Promising Antiviral Agents: A Comprehensive Overview

G Ahmad, M Sohail, M Bilal, N Rasool, MU Qamar… - Molecules, 2024 - mdpi.com
Viruses are a real threat to every organism at any stage of life leading to extensive infections
and casualties. N-heterocycles can affect the viral life cycle at many points, including viral …

Molecular docking and molecular dynamics simulations discover curcumin analogue as a plausible dual inhibitor for SARS-CoV-2

S Rampogu, G Lee, JS Park, KW Lee… - International journal of …, 2022 - mdpi.com
Recently, the world has been witnessing a global pandemic with no effective therapeutics
yet, while cancer continues to be a major disease claiming many lives. The natural …

A new generalized pole clustering-based model reduction technique and its application for design of controllers

AK Prajapati, R Prasad - Circuits, Systems, and Signal Processing, 2022 - Springer
A new model diminution technique is proposed for the reduction of complexity of higher
order linear dynamical systems. In this proposed method, a generalized pole clustering …

Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

[HTML][HTML] The rise of SARS-CoV-2 variants and the role of convalescent plasma therapy for management of infections

M Moubarak, KI Kasozi, HF Hetta, HM Shaheen, A Rauf… - Life, 2021 - mdpi.com
Novel therapies for the treatment of COVID-19 are continuing to emerge as the SARS-Cov-2
pandemic progresses. PCR remains the standard benchmark for initial diagnosis of COVID …

Computational Investigations for Identification of Bioactive Molecules from Baccaurea ramiflora and Bergenia ciliata as Inhibitors of SARS-CoV-2 Mpro

JH Zothantluanga, M Abdalla, M Rudrapal… - Polycyclic Aromatic …, 2023 - Taylor & Francis
In this study, a hybrid compound library of 72 phytocompounds from two antiviral medicinal
plants (Baccaurea ramiflora and Bergenia ciliata) was computationally investigated for their …

Exploring the role of microbial proteins in controlling environmental pollutants based on molecular simulation

J Wu, J Lv, L Zhao, R Zhao, T Gao, Q Xu, D Liu… - Science of the Total …, 2023 - Elsevier
Molecular simulation has been widely used to study microbial proteins' structural
composition and dynamic properties, such as volatility, flexibility, and stability at the …

Virtual combinatorial library screening of quinadoline B derivatives against SARS-CoV-2 RNA-dependent RNA polymerase

S Brogi, MT Quimque, KI Notarte, JG Africa… - Computation, 2022 - mdpi.com
The unprecedented global health threat of SARS-CoV-2 has sparked a continued interest in
discovering novel anti-COVID-19 agents. To this end, we present here a computer-based …