Quantum-Chemical Descriptors of Hydroxychloroquine and Remdesivir


Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) emerged as a global pandemic that is severely affecting our daily life, economy, and putting tremendous pressure on the healthcare infrastructure. Undoubtedly, this is one of the greatest challenges faced by humankind after the World War II. Faced with the unprecedented nature of COVID-19, many vaccines, drug molecules have been fast-tracked in Phase I and Phase II trials.  Unfortunately, there is still no proper treatment available till date1.  However, several existing drug molecules such as ribavirin, interferon, lopinavir-ritonavir, corticosteroids, have been used in patients with SARS or MERS. Although the efficacy of some …

Continue Reading

Settling for Average: A Natural Choice for Enzyme

Enzyme Choice

Textbooks often describe enzymes are highly efficient, have high rate of reaction, and much superior to that of a chemical catalyst. But how fast is it possible for an enzyme-catalyzed reaction to proceed? Is there any limit to the rate acceleration achievable by enzymes? The answer is yes, there is a certain upper limit to the rate acceleration by an enzyme and very few enzymes have achieved it.This special class of enzyme is known as “Diffusion Limited Enzyme. Diffusion Limited Enzyme The rate is limited by the rate at which the substrate can diffuse onto its active site and product …

Continue Reading

A Bioinformatics View on How Corona Virus Binds to the Host Receptor


A Bioinformatics View on How Corona Virus Binds to the Host Receptor Dr. Abhijit Kayal Senior Scientist, Quantumzyme In December 2019, a novel coronavirus, named SARS-CoV-2, emerged in Wuhan, China, and led to a rapidly spreading outbreak of coronavirus disease which is designated as COVID-19 by World Health Organisation (WHO).The coronavirusCOVID-19 is affecting 210 countries and territories. Till now the death toll rises to 1,68,784 (date: 20.04.2020).However, the world has already seen a similar pandemic in the year 2002 by a similar type of coronavirus SARS-CoV. The similarities between SARS-CoV and SARS-CoV-2 are striking, not only in name but also in their …

Continue Reading