Enantiopure products have growing demands in diverse fields, ranging from pharmaceuticals to agriculture, and have a direct impact on health, quality of life, and economy. This indicates a huge scope and importance for developing a novel catalyst that furnishes products in high efficiency and delivers significantly higher enantiomeric purity. Asymmetric methodologies are now widely accepted as a reliable and efficient way to access enantiorich compounds. Peptide-based rational catalyst design utilizes basic fundamental knowledge of catalysis, often combined with structural information. Therefore understanding the underlying mechanism of a catalysis process is important.

Peptide-based novel therapeutics and nanocatalysts have shown tremendous potential over the last few decades. However, peptide-based therapeutics still face multiple challenges concerning their design and potency. Rational design approaches can determine and design effective molecules from the vast chemical space that peptides represent. The application of structure prediction methods and molecular dynamics simulations also allows their validation. Here we consider the methods and case studies for peptide modeling, structure prediction, and simulations.

Selective permeability of cell membranes often restricts the exchange of molecules between the extra and intracellular domains. Such a barrier coupled with poor lipophilic properties of therapeutic molecules hinders their transport to the diseased cells. Peptides with the ability to penetrate plasma membranes have been demonstrated to successfully deliver nucleic acids, proteins, and small molecule entities inside the cell. The delivery of therapeutic molecules increases the bioavailability inside the cell; however, it provides no protection from the damage caused by side effects of therapeutics owing to their unspecific delivery to multiple sites. In this chapter, we describe the peptides with membrane transduction properties, their mechanisms of action, specificity to diseased models, therapeutic applications, and the challenges for lab to clinical application.

Over the last few decades, advances in designing and synthesis of small molecule-based smart and functional materials have been an area of interest in the field of material science, biology, and chemistry. Among the different starting materials, peptides and peptide analogs have been utilized in the bottom-up nanofabrication technique to give rise to functional superstructures. Peptides offer inherent advantages like biocompatibility, chemical versatility, ease of synthesis, possibilities of chemical modifications, to mention a few. The self-assembly of these molecules is mostly mediated by noncovalent forces of interactions to produce superstructures with distinct physicochemical properties. Apart from nanofabrication, de novo, as well as the structure-based peptide designing strategy, has been utilized for a plethora of applications, including therapeutic options, bioremediation, and drug delivery, to name a few. In this article, we give an overview of molecular self-assembly, protein and peptide structure, and the different nanomaterials formed by peptides and peptide analogs. We also discuss the varied applications of these structures in biomedical, nanoelectronics and material science, current challenges, and future perspectives.

The aim of this chapter is to provide key considerations for the solid phase peptide synthesis (SPPS). The two main strategies of SPPS, based on the concourse of tert-butyloxycarbonyl (Boc) and fluorenylmethoxycarbonyl (Fmoc) as temporary protecting groups are discussed. The present chapter describes about the different resins, linkers, protecting groups, and coupling agents available for SPPS. The principles and synthesis protocol of SPPS (anchoring, deprotection, coupling, and cleavage) are discussed along with the possible side reactions.

Protein design studies involves either top-down approach as given by Anfinsen or bottom-up approach given by Pauling and Ramachandran. In this chapter the advances in de novo design of proteins using the principles of bottom-up approach are discussed. De novo design tests critically the principles of protein folding. Advances in protein design using increased stereochemical space by using both L and D amino acids are also discussed.

According to WHO, antimicrobial resistance (AMR) is one of the major public health concerns worldwide. Resistant microorganisms or “superbugs” gain AMR through multiple mutations, manifested as activation of efflux transporters, sequestration of antimicrobials, and restriction of drug internalization. Antimicrobial peptides (AMPs) are naturally known components of the innate immune system. AMPs are short stretches of amino acids having the ability to disrupt bacterial cell membranes. They are widely explored and wisely applied as therapeutic solutions to AMR. Recent advancement in AMP research, by chemical modifications, conjugations, and nanotization, has shown great potential in the design space to combat AMR. In this chapter the developments related to AMPs are discussed, along with various design strategies employed for bacterial targeting.

Bioinspired molecular design is a nontraditional problem solving approach, which often results in uniquely engineered solutions for complex practical problems. From a materials perspective, biology offers a substantial source of novel approaches capable of arousing innovation in every aspect of materials, including fabrication, design, and functionality. Consequently, significant efforts have been devoted to fabricating the bioinspired materials with a wide range of applications. This article provides a comprehensive review of the recent advancements in the generation of peptide-based bioinspired functional molecular constructs.

A patent is a grant of a property right by a governmental authority to its founder. In exchange for a comprehensive disclosure of the finding, the innovator is granted exclusive rights to the patented invention, design, or innovation for certain years. To protect the discovery, it is necessary to obtain a patent. In most cases, it can protect any invention, idea, or procedure that meets specific criteria for novelty, applicability, and suitability for up to 20 years. The most significant approach for researchers to secure their revenues from ideas or technology they have developed is through patents. This chapter summarizes the peptide patents that have been filed in various component discoveries in peptide research. Depending on the features and functionality of peptides, several patents are awarded for commercial and academic inventions in the peptide field.