Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-
clinical drug discovery, and various computational techniques and software programs are …

This review seeks to provide a timely survey of the scope and limitations of cheminformatics
methods in natural product‐based drug discovery. Following an overview of data resources …

Natural products have a significant role in drug discovery. Natural products have distinctive
chemical structures that have contributed to identifying and developing drugs for different …

Ebola virus (EBOV) is one of the most lethal pathogens that can infect humans. The Ebola
viral protein VP35 (EBOV VP35) inhibits host IFN-α/β production by interfering with host …

Around the world, the number of compound databases of natural products in the public
domain is rising. This is in line with the increasing synergistic combination of natural product …

Our previous work was focused on the fundamental physical and chemical concepts behind
“drug-likeness” and “natural product (NP)-likeness”. Herein, we discuss further details on the …

Neuropathic pain is due to an injury or disease of the somatosensory nervous system, which
accounts for a significant economical and health burden to society. Due to poor …

The successful conversion of natural products (NPs) into lead compounds and novel
pharmacophores has emboldened the researchers to harness the drug discovery process …

This chapter discusses the synergy between natural product-based drug discovery and
methods used in computer-aided drug design. For centuries, Nature has been the source of …

Chronic pain is a common and debilitating condition with a huge social and economic
burden worldwide. Currently, available drugs in clinics are not adequately effective and …